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-bromopropanethioate (non-preferred name)
Catalog ID
STL525498
SMILES CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)SC(=O)C(Br)C
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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 C30H49BrOS MW 537.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H49BrOS/c1-5-6-7-8-9-10-11-22-13-15-26-25-14-12-23-20-24(33-28(32)21(2)31)16-18-30(23,4)27(25)17-19-29(22,26)3/h12,21-22,24-27H,5-11,13-20H2,1-4H3/t21?,22?,24-,25?,26?,27?,29+,30-/m0/s1InChIKey
CZPMLPQARRFNQN-XYPGNASESA-NSynonyms
~(S)((3~(S)10~(R)13~(R))1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)2bromopropanethioate
16395109
CCCCCCCCC1CCC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CC(C@@H)(C2)SC(=O)C(Br)C
InChI=1SC30H49BrOSc156789101122131526251412232024(3328(32)21(2)31)161830(234)27(25)171929(2226)3h1221222427H5111320H214H3t21?22?2425?26?27?29+30m0s1
MFCD01082757
S((3S10R13R)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl)2bromopropanethioate
S((3S10R13R)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl)2bromopropanethioate(nonpreferredname)
ZINC000253499180
ZINC000253499192
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