Vitas-M small molecule compound
(2R)-2-[(3S)-6-{[(2S,4R,5R,9R,10R)-2-{(2R,3'R)-5'-[(3R,5S,6S)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2H-pyran-2-yl]-2,3'-dimethyloctahydro-2,2'-bifuran-5-yl}-9-methoxy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]dec-7-yl]methyl}-3-methyltetrahydro-2H-
Catalog ID
STK367458
SMILES CO[C@@H]1CC(CC2CC[C@@H](C(O2)[C@H](C(=O)O)C)C)O[C@@]2([C@@H]1C)O[C@](C[C@H]2C)(C)C1CC[C@](O1)(C)C1OC(C[C@H]1C)C1O[C@](O)(CO)[C@H](C[C@H]1C)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 C40H68O11 MW 724.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H68O11/c1-21-11-12-28(46-33(21)26(6)36(42)43)17-29-18-30(45-10)27(7)40(48-29)25(5)19-38(9,51-40)32-13-14-37(8,49-32)35-23(3)16-31(47-35)34-22(2)15-24(4)39(44,20-41)50-34/h21-35,41,44H,11-20H2,1-10H3,(H,42,43)/t21-,22+,23+,24-,25+,26+,27+,28?,2InChIKey
DANUORFCFTYTSZ-IPZVWXIXSA-NSynonyms
(2R)2((3S)6(((2S4R5R6R7R)2((5R)5((3R)5((3R5S6S)6hydroxy6(hydroxymethyl)35dimethyloxan2yl)3methyloxolan2yl)5methyloxolan2yl)7methoxy246trimethyl110dioxaspiro(45)decan9yl)methyl)3methyloxan2yl)propanoicacid
(2R)2((3S)6(((2S4R5R9R10R)2((2R3R)5((3R5S6S)6hydroxy6(hydroxymethyl)35dimethyltetrahydro2Hpyran2yl)23dimethyloctahydro22bifuran5yl)9methoxy2410trimethyl16
CC1CCC(OC1C(C)C(=O)O)CC2CC(C(C3(O2)C(CC(O3)(C)C4CCC(O4)(C)C5C(CC(O5)C6C(CC(C(O6)(CO)O)C)C)C)C)C)OC
CO(C@@H)1CC(CC2CC(C@@H)(C(O2)(C@H)(C(=O)O)C)C)O(C@@)2((C@@H)1C)O(C@)(C(C@H)2C)(C)C1CC(C@)(O1)(C)C1OC(C(C@H)1C)C1O(C@)(O)(CO)(C@H)(C(C@H)1C)C
InChI=1SC40H68O11c121111228(4633(21)26(6)36(42)43)17291830(4510)27(7)40(4829)25(5)1938(95140)32131437(84932)3523(3)1631(4735)3422(2)1524(4)39(442041)5034h21354144H1120H2110H3(H4243)t2122+23+2425+26+27+28?29?30+31?32?33?34?35?37+3839+40+m0s1
ZINC000239038367
ZINC000239038370
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