Vitas-M small molecule compound
4-(3-{(E)-[2,4-dioxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzonitrile
Catalog ID
STK154902
SMILES C=CCN1C(=O)S/C(=C/c2cc(n(c2C)c2ccc(cc2)C#N)C)/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 C20H17N3O2S MW 363.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O2S/c1-4-9-22-19(24)18(26-20(22)25)11-16-10-13(2)23(14(16)3)17-7-5-15(12-21)6-8-17/h4-8,10-11H,1,9H2,2-3H3/b18-11+InChIKey
NKDBDBMHHBPIRN-WOJGMQOQSA-NSynonyms
4(3((3ALLYL24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZONITRILE
4(3((E)(24DIOXO3(PROP2EN1YL)13THIAZOLIDIN5YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZONITRILE
4(3((E)(24DIOXO3PROP2ENYL13THIAZOLIDIN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZONITRILE
C=CCN1C(=O)SC(=Cc2cc(n(c2C)c2ccc(cc2)C#N)C)C1=O
CC1=CC(=C(N1C2=CC=C(C=C2)C#N)C)C=C3C(=O)N(C(=O)S3)CC=C
InChI=1SC20H17N3O2Sc1492219(24)18(2620(22)25)11161013(2)23(14(16)3)177515(1221)6817h481011H19H223H3b1811+
MFCD03784058
ZINC000000981692
ZINC00981692
ZINC981692
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