Vitas-M small molecule compound
S-(10,13-dimethyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl) cyclohexylethanethioate (non-preferred name)
Catalog ID
STL553643
SMILES CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)SC(=O)CC1CCCCC1
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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 C35H58OS MW 526.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H58OS/c1-4-5-6-7-8-12-15-27-17-19-31-30-18-16-28-25-29(37-33(36)24-26-13-10-9-11-14-26)20-22-35(28,3)32(30)21-23-34(27,31)2/h16,26-27,29-32H,4-15,17-25H2,1-3H3InChIKey
FAIXXHWUFODNRO-UHFFFAOYSA-NSynonyms
~(S)(1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)2cyclohexylethanethioate
3832044
CCCCCCCCC1CCC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CC(C@@H)(C2)SC(=O)CC1CCCCC1
InChI=1SC35H58OSc145678121527171931301816282529(3733(36)242613109111426)202235(283)32(30)212334(2731)2h1626272932H4151725H213H3
MFCD01364303
S((3S10R13R)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl)2cyclohexylethanethioate
S(1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl)cyclohexylethanethioate(nonpreferredname)
ZINC000070664574
ZINC000504294201
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