Vitas-M small molecule compound
[(2S,4aS,6aS,6bS,10aR)-6b-acetyl-2-hydroxy-6a-methyl-1,2,3,4,4b,5,6,6a,6b,7,8,9,10,10a,11,11a,11b,12-octadecahydro-4aH-indeno[2,1-a]phenanthren-4a-yl]methyl 4-methylbenzenesulfonate
Catalog ID
STL575384
SMILES O[C@H]1CC[C@]2(C(=CCC3C2CC[C@]2(C3C[C@@H]3[C@]2(CCCC3)C(=O)C)C)C1)COS(=O)(=O)c1ccc(cc1)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 C32H44O5S MW 540.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H44O5S/c1-21-7-10-26(11-8-21)38(35,36)37-20-31-17-13-25(34)18-23(31)9-12-27-28(31)14-16-30(3)29(27)19-24-6-4-5-15-32(24,30)22(2)33/h7-11,24-25,27-29,34H,4-6,12-20H2,1-3H3/t24-,25+,27?,28?,29?,30+,31-,32+/m1/s1InChIKey
GNGMYNXJYIKRMI-HUBAHBNCSA-NSynonyms
((2S4aS6aS6bS10aR)6bacetyl2hydroxy6amethyl12344b566a6b7891010a1111a11b12octadecahydro4aHindeno(21a)phenanthren4ayl)methyl4methylbenzenesulfonate
((2S4aS6aS6bS10aR)6bacetyl2hydroxy6amethyl12344b567891010a1111a11b12hexadecahydroindeno(21a)phenanthren4ayl)methyl4methylbenzenesulfonate
145916334
InChI=1SC32H44O5Sc12171026(11821)38(3536)372031171325(34)1823(31)9122728(31)141630(3)29(27)19246451532(2430)22(2)33h7112425272934H461220H213H3t2425+27?28?29?30+3132+m1s1
MFCD32654788
ZINC000022172304
ZINC000036370596
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