Vitas-M small molecule compound
methyl (4aR,4bS,7R,10aR,12aR)-7,10a-dimethyl-1,4-dioxo-13-(propan-2-yl)hexadecahydro-1H-4b,12-ethenochrysene-7-carboxylate
Catalog ID
STL552932
SMILES COC(=O)[C@]1(C)CCC[C@]2(C1CC[C@@]13C2CC(C(=C1)C(C)C)[C@@H]1[C@H]3C(=O)CCC1=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 C27H38O4 MW 426.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H38O4/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/h14-16,20-23H,6-13H2,1-5H3/t16?,20?,21?,22-,23+,25-,26+,27-/m0/s1InChIKey
DCGMIQMNIOQACA-DOYWOOQFSA-NSynonyms
(4aR4bS7R10aR12aR)methyl13isopropyl710adimethyl14dioxo2344a566a7891010a10b111212ahexadecahydro1H4b12ethenochrysene7carboxylate
16397270
COC(=O)(C@)1(C)CCC(C@)2(C1CC(C@@)13C2CC(C(=C1)C(C)C)(C@@H)1(C@H)3C(=O)CCC1=O)C
InChI=1SC27H38O4c115(2)1714271292025(31061126(204)24(30)315)21(27)1316(17)2218(28)7819(29)23(22)27h14162023H613H215H3t16?20?21?2223+2526+27m0s1
methyl(1~(S)5~(R)9~(R)13~(R)18~(R))59dimethyl1417dioxo20propan2ylpentacyclo(10620^(110)0^(49)0^(1318))icos19ene5carboxylate
methyl(4aR4bS7R10aR12aR)710adimethyl14dioxo13(propan2yl)hexadecahydro1H4b12ethenochrysene7carboxylate
ZINC000169684265
ZINC000252693386
Check stock
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