Vitas-M small molecule compound
2-[(3-{(E)-[1-(4-chlorophenyl)-3-ethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile
Catalog ID
STK198015
SMILES CCN1C(=O)/C(=C\c2cn(c3c2cccc3)Cc2ccccc2C#N)/C(=O)N(C1=S)c1ccc(cc1)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 C29H21ClN4O2S MW 525.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21ClN4O2S/c1-2-33-27(35)25(28(36)34(29(33)37)23-13-11-22(30)12-14-23)15-21-18-32(26-10-6-5-9-24(21)26)17-20-8-4-3-7-19(20)16-31/h3-15,18H,2,17H2,1H3/b25-15+InChIKey
OTHJQJGSMIMYHB-MFKUBSTISA-NSynonyms
2((3((1(4CHLOROPHENYL)3ETHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HINDOL1YL)METHYL)BENZONITRILE
2((3((E)(1(4CHLOROPHENYL)3ETHYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)INDOL1YL)METHYL)BENZONITRILE
2((3((E)(1(4CHLOROPHENYL)3ETHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HINDOL1YL)METHYL)BENZONITRILE
CCN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4C#N)C(=O)N(C1=S)C5=CC=C(C=C5)Cl
CCN1C(=O)C(=Cc2cn(c3c2cccc3)Cc2ccccc2C#N)C(=O)N(C1=S)c1ccc(cc1)Cl
InChI=1SC29H21ClN4O2Sc123327(35)25(28(36)34(29(33)37)23131122(30)121423)15211832(261065924(21)26)1720843719(20)1631h31518H217H21H3b2515+
MFCD03696930
ZINC000008396065
ZINC08396065
ZINC8396065
Check stock
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Check stock on Vitas-MAvailable files
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