Vitas-M small molecule compound
S-(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-chloro-3-methylbutanethioate (non-preferred name)
Catalog ID
STL553701
SMILES CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)SC(=O)C(C(C)C)Cl
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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 C32H53ClOS MW 521.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H53ClOS/c1-6-7-8-9-10-11-12-23-14-16-27-26-15-13-24-21-25(35-30(34)29(33)22(2)3)17-19-32(24,5)28(26)18-20-31(23,27)4/h13,22-23,25-29H,6-12,14-21H2,1-5H3InChIKey
YHFMMZUOMCRTSB-UHFFFAOYSA-NSynonyms
~(S)(1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)2chloro3methylbutanethioate
4371726
CCCCCCCCC1CCC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CC(C@@H)(C2)SC(=O)C(C(C)C)Cl
InChI=1SC32H53ClOSc1678910111223141627261513242125(3530(34)29(33)22(2)3)171932(245)28(26)182031(2327)4h1322232529H6121421H215H3
MFCD00984753
S((3S10R13R)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl)2chloro3methylbutanethioate
S(1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl)2chloro3methylbutanethioate(nonpreferredname)
ZINC000070665445
ZINC000504427466
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