Vitas-M small molecule compound
(2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-6'-(butan-2-yl)-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-y
Catalog ID
STK801950
SMILES CC[C@@H]([C@H]1O[C@@]2(C=C[C@@H]1C)O[C@@H]1C/C=C(\C)/[C@@H](O[C@H]3C[C@H](OC)[C@H]([C@@H](O3)C)O[C@H]3C[C@H](OC)[C@@H]([C@@H](O3)C)NC)[C@@H](C)/C=C/C=C\3/[C@]4([C@H](C(=O)O[C@H](C2)C1)C=C(C)[C@H]([C@H]4OC3)O)O)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C49H75NO13 MW 886.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C49H75NO13/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39/h13-16,18-20,26-27,29,31-32,34-46InChIKey
CXEGAUYXQAKHKJ-COFQVFHOSA-NSynonyms
119791-41-2(2aE4E5S6S6R7S8E11R13S15S17aR20R20aR20bS)6(butan2yl)2020bdihydroxy56819tetramethyl17oxo566101114151717a2020a20bdodecahydro2H7Hspiro(1115methanofuro(4
119791412
CC(C@@H)((C@H)1O(C@@)2(C=C(C@@H)1C)O(C@@H)1CC=C(C)(C@@H)(O(C@H)3C(C@H)(OC)(C@H)((C@@H)(O3)C)O(C@H)3C(C@H)(OC)(C@@H)((C@@H)(O3)C)NC)(C@@H)(C)C=CC=C3(C@)4((C@H)(C(=O)O(C@H)(C2)C1)C=C(C)(C@H)((C@H)4OC3)O)O)C
CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)NC)OC)OC)C)C
EMAMECTINB1A
InChI=1SC49H75NO13c11226(2)4429(5)181948(6344)24352134(6248)171628(4)43(27(3)1413153325564642(51)30(6)2036(47(52)5935)49(3346)53)60402338(5511)45(32(8)5840)61392237(5410)41(509)31(7)5739h1316182026272931323446505153H12172125H2111H3b1413+2816+3315+t26
MFCD13372545
ZINC000252463563
ZINC000254447526
Check stock
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Check stock on Vitas-MAvailable files
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