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] benzenecarbothioate (non-preferred name)
Catalog ID
STL524420
SMILES CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)SC(=O)c1ccccc1
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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 C34H50OS MW 506.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H50OS/c1-4-5-6-7-8-12-15-26-17-19-30-29-18-16-27-24-28(36-32(35)25-13-10-9-11-14-25)20-22-34(27,3)31(29)21-23-33(26,30)2/h9-11,13-14,16,26,28-31H,4-8,12,15,17-24H2,1-3H3/t26?,28-,29?,30?,31?,33+,34-/m0/s1InChIKey
LILFVFNXCKTUBS-WNNKUWKASA-NSynonyms
~(S)((3~(S)10~(R)13~(R))1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)benzenecarbothioate
16395261
CCCCCCCCC1CCC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CC(C@@H)(C2)SC(=O)c1ccccc1
InChI=1SC34H50OSc145678121526171930291816272428(3632(35)2513109111425)202234(273)31(29)212333(2630)2h911131416262831H4812151724H213H3t26?2829?30?31?33+34m0s1
MFCD01083423
S((3S10R13R)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl)benzenecarbothioate(nonpreferredname)
S((3S10R13R)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl)benzothioate
ZINC000070664810
ZINC000253499613
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