Vitas-M small molecule compound
methyl (4bS,7R,10aR)-7,10a-dimethyl-1,4-dioxo-13-(propan-2-yl)-4,4a,5,6,6a,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-4b,12-ethenochrysene-7-carboxylate
Catalog ID
STL552883
SMILES COC(=O)[C@]1(C)CCC[C@]2(C1CC[C@@]13C2CC(C(=C1)C(C)C)C1C3C(=O)C=CC1=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 C27H36O4 MW 424.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36O4/c1-15(2)17-14-27-12-9-20-25(3,10-6-11-26(20,4)24(30)31-5)21(27)13-16(17)22-18(28)7-8-19(29)23(22)27/h7-8,14-16,20-23H,6,9-13H2,1-5H3/t16?,20?,21?,22?,23?,25-,26+,27-/m0/s1InChIKey
UOJAWWVICMBLAC-BLQJCGCSSA-NSynonyms
(4bS7R10aR)methyl13isopropyl710adimethyl14dioxo44a566a7891010a10b111212atetradecahydro1H4b12ethenochrysene7carboxylate
16397150
COC(=O)(C@)1(C)CCC(C@)2(C1CC(C@@)13C2CC(C(=C1)C(C)C)C1C3C(=O)C=CC1=O)C
InChI=1SC27H36O4c115(2)1714271292025(31061126(204)24(30)315)21(27)1316(17)2218(28)7819(29)23(22)27h7814162023H6913H215H3t16?20?21?22?23?2526+27m0s1
methyl(1~(S)5~(R)9~(R))59dimethyl1417dioxo20propan2ylpentacyclo(10620^(110)0^(49)0^(1318))icosa1519diene5carboxylate
methyl(4bS7R10aR)710adimethyl14dioxo13(propan2yl)44a566a7891010a10b111212atetradecahydro1H4b12ethenochrysene7carboxylate
ZINC000229995292
ZINC000252695085
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