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] 2-bromohexanethioate (non-preferred name)
Catalog ID
STL525176
SMILES CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)SC(=O)C(CCCC)Br
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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 C33H55BrOS MW 579.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H55BrOS/c1-5-7-9-10-11-12-13-24-16-18-28-27-17-15-25-23-26(36-31(35)30(34)14-8-6-2)19-21-33(25,4)29(27)20-22-32(24,28)3/h15,24,26-30H,5-14,16-23H2,1-4H3/t24?,26-,27?,28?,29?,30?,32+,33-/m0/s1InChIKey
UAMJDBHGEBLGGF-SHMZCRCISA-NSynonyms
~(S)((3~(S)10~(R)13~(R))1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)2bromohexanethioate
44664809
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)C(CCCC)Br
InChI=1SC33H55BrOSc15791011121324161828271715252326(3631(35)30(34)14862)192133(254)29(27)202232(2428)3h15242630H5141623H214H3t24?2627?28?29?30?32+33m0s1
MFCD01082459
S((3S10R13R)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl)2bromohexanethioate(nonpreferredname)
S((3S8S9S10R13R14S17S)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl)2bromohexanethioate
ZINC000253502725
ZINC000253502733
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