Vitas-M small molecule compound
methyl (7R,10aR)-3-chloro-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
STL552901
SMILES COC(=O)[C@]1(C)CCC[C@]2(C1CCC13C2CC(C(=C1)C(C)C)C1C3C(=O)C(=CC1=O)Cl)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 C27H35ClO4 MW 459.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35ClO4/c1-14(2)16-13-27-10-7-19-25(3,8-6-9-26(19,4)24(31)32-5)20(27)11-15(16)21-18(29)12-17(28)23(30)22(21)27/h12-15,19-22H,6-11H2,1-5H3/t15?,19?,20?,21?,22?,25-,26+,27?/m0/s1InChIKey
RBMXOEUCEBPGAY-ZIIXBGRGSA-NSynonyms
(7R10aR)methyl3chloro13isopropyl710adimethyl14dioxo44a566a7891010a10b111212atetradecahydro1H4b12ethenochrysene7carboxylate
16397179
COC(=O)(C@)1(C)CCC(C@)2(C1CCC13C2CC(C(=C1)C(C)C)C1C3C(=O)C(=CC1=O)Cl)C
InChI=1SC27H35ClO4c114(2)1613271071925(386926(194)24(31)325)20(27)1115(16)2118(29)1217(28)23(30)22(21)27h12151922H611H215H3t15?19?20?21?22?2526+27?m0s1
methyl(5~(R)9~(R))16chloro59dimethyl1417dioxo20propan2ylpentacyclo(10620^(110)0^(49)0^(1318))icosa1519diene5carboxylate
methyl(7R10aR)3chloro710adimethyl14dioxo13(propan2yl)44a566a7891010a10b111212atetradecahydro1H4b12ethenochrysene7carboxylate
ZINC000100745470
ZINC000245339184
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