Vitas-M small molecule compound
2-({5-bromo-4-[(Z)-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy}methyl)benzonitrile
Catalog ID
STL370151
SMILES CCN1C(=S)S/C(=C\c2cc(OC)c(cc2Br)OCc2ccccc2C#N)/C1=O
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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 C21H17BrN2O3S2 MW 489.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrN2O3S2/c1-3-24-20(25)19(29-21(24)28)9-15-8-17(26-2)18(10-16(15)22)27-12-14-7-5-4-6-13(14)11-23/h4-10H,3,12H2,1-2H3/b19-9-InChIKey
IPSOSCIRSZIFMT-OCKHKDLRSA-NSynonyms
2((5BROMO4((Z)(3ETHYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZONITRILE
2((5bromo4((Z)(3ethyl4oxo2thioxo13thiazolidin5ylidene)methyl)2methoxyphenoxy)methyl)benzonitrile
CCN1C(=O)C(=CC2=CC(=C(C=C2Br)OCC3=CC=CC=C3C#N)OC)SC1=S
CCN1C(=S)SC(=Cc2cc(OC)c(cc2Br)OCc2ccccc2C#N)C1=O
InChI=1SC21H17BrN2O3S2c132420(25)19(2921(24)28)915817(262)18(1016(15)22)271214754613(14)1123h410H312H212H3b199
MFCD05150032
ZINC000009296198
ZINC09296198
ZINC9296198
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