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] O-pentyl carbonothioate (non-preferred name)
Catalog ID
STL547273
SMILES CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)SC(=O)OCCCCC
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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 C33H56O2S MW 516.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H56O2S/c1-5-7-9-10-11-12-14-25-16-18-29-28-17-15-26-24-27(36-31(34)35-23-13-8-6-2)19-21-33(26,4)30(28)20-22-32(25,29)3/h15,25,27-30H,5-14,16-24H2,1-4H3/t25?,27-,28?,29?,30?,32+,33-/m0/s1InChIKey
UQHHSSJZGSONDE-BFEDBVIMSA-NSynonyms
135639764
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)OCCCCC
InChI=1SC33H56O2Sc15791011121425161829281715262427(3631(34)352313862)192133(264)30(28)202232(2529)3h15252730H5141624H214H3t25?2728?29?30?32+33m0s1
MFCD01081595
pentyl((3~(S)10~(R)13~(R))1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)sulfanylformate
S((3S10R13R)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl)Opentylcarbonothioate(nonpreferredname)
S((3S8S9S10R13R14S17S)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl)Opentylcarbonothioate
ZINC000504698662
ZINC001772492730
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