Vitas-M small molecule compound
methyl (7S,10aR)-1,4-dimethoxy-7,10a-dimethyl-13-(propan-2-yl)-6,6a,7,8,9,10,10a,10b,11,12-decahydro-5H-4b,12-ethenochrysene-7-carboxylate
Catalog ID
STL527424
SMILES COC(=O)[C@@]1(C)CCC[C@]2(C1CCC13C2CC(C(=C1)C(C)C)c1c3c(OC)ccc1OC)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 C29H40O4 MW 452.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H40O4/c1-17(2)19-16-29-14-11-22-27(3,12-8-13-28(22,4)26(30)33-7)23(29)15-18(19)24-20(31-5)9-10-21(32-6)25(24)29/h9-10,16-18,22-23H,8,11-15H2,1-7H3/t18?,22?,23?,27-,28-,29?/m0/s1InChIKey
RBBZVTLSFMUCIE-PDAWQTKQSA-NSynonyms
(7S10aR)methyl13isopropyl14dimethoxy710adimethyl66a7891010a10b1112decahydro5H4b12ethenochrysene7carboxylate
16397708
COC(=O)(C@@)1(C)CCC(C@)2(C1CCC13C2CC(C(=C1)C(C)C)c1c3c(OC)ccc1OC)C
InChI=1SC29H40O4c117(2)19162914112227(31281328(224)26(30)337)23(29)1518(19)2420(315)91021(326)25(24)29h91016182223H81115H217H3t18?22?23?272829?m0s1
methyl(5~(S)9~(R))1417dimethoxy59dimethyl20propan2ylpentacyclo(10620^(110)0^(49)0^(1318))icosa13151719tetraene5carboxylate
methyl(7S10aR)14dimethoxy710adimethyl13(propan2yl)66a7891010a10b1112decahydro5H4b12ethenochrysene7carboxylate
MFCD03266857
ZINC000100747861
ZINC000105367645
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