Vitas-M small molecule compound
(4aR,6aS,6bS,9aR)-6b-[(acetyloxy)acetyl]-4a,6a-dimethyl-2-oxo-8-propyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-5-yl acetate
Catalog ID
STL525376
SMILES CCCC1O[C@H]2[C@](O1)(C(=O)COC(=O)C)[C@@]1(C(C2)C2CCC3=CC(=O)C=C[C@@]3(C2C(C1)OC(=O)C)C)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 C29H38O8 MW 514.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H38O8/c1-6-7-25-36-24-13-21-20-9-8-18-12-19(32)10-11-27(18,4)26(20)22(35-17(3)31)14-28(21,5)29(24,37-25)23(33)15-34-16(2)30/h10-12,20-22,24-26H,6-9,13-15H2,1-5H3/t20?,21?,22?,24-,25?,26?,27+,28+,29-/m1/s1InChIKey
LXXJBYQKJRJLNP-BVGPSFMHSA-NSynonyms
(2((4~(R)8~(S)9~(S)13~(R))11acetyloxy913dimethyl16oxo6propyl57dioxapentacyclo(10800^(29)0^(48)0^(1318))icosa1417dien8yl)2oxoethyl)acetate
(4aR6aS6bS9aR)6b((acetyloxy)acetyl)4a6adimethyl2oxo8propyl4a4b566a6b9a1010a10b1112dodecahydro2Hnaphtho(2145)indeno(12d)(13)dioxol5ylacetate
2((6aR6bS7S8aS8bS11aR12aS12bS)7acetoxy6a8adimethyl4oxo10propyl246a6b788a8b11a1212a12bdodecahydro1Hnaphtho(2145)indeno(12d)(13)dioxol8byl)2oxoethylacetate
9549759
CCCC1O(C@H)2(C@)(O1)(C(=O)COC(=O)C)(C@@)1((C@@H)(C2)(C@@H)2CCC3=CC(=O)C=C(C@@)3((C@H)2(C@H)(C1)OC(=O)C)C)C
InChI=1SC29H38O8c16725362413212098181219(32)101127(184)26(20)22(3517(3)31)1428(215)29(243725)23(33)153416(2)30h101220222426H691315H215H3t20?21?22?2425?26?27+28+29m1s1
MFCD00732677
ZINC000008427562
ZINC000253620338
Check stock
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