Vitas-M small molecule compound
S-[(3S,10R,13R)-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] cyclopentanecarbothioate (non-preferred name)
Catalog ID
STL547609
SMILES CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)SC(=O)C1CCCC1
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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 C33H54OS MW 498.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H54OS/c1-4-5-6-7-8-9-14-25-16-18-29-28-17-15-26-23-27(35-31(34)24-12-10-11-13-24)19-21-33(26,3)30(28)20-22-32(25,29)2/h15,24-25,27-30H,4-14,16-23H2,1-3H3/t25?,27-,28?,29?,30?,32+,33-/m0/s1InChIKey
FZUSLKUNPSJCMU-BFEDBVIMSA-NSynonyms
~(S)((3~(S)10~(R)13~(R))1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)cyclopentanecarbothioate
135639772
CCCCCCCC(C@H)1CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CC=C2(C@)1(C)CC(C@@H)(C2)SC(=O)C1CCCC1
InChI=1SC33H54OSc14567891425161829281715262327(3531(34)241210111324)192133(263)30(28)202232(2529)2h1524252730H4141623H213H3t25?2728?29?30?32+33m0s1
MFCD01082813
S((3S10R13R)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl)cyclopentanecarbothioate(nonpreferredname)
S((3S8S9S10R13R14S17S)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl)cyclopentanecarbothioate
ZINC000504505247
ZINC001772492753
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