Vitas-M small molecule compound

(2E)-N-(5-chloro-2-methylphenyl)-2-cyano-3-[1-(3-cyano-1-benzothiophen-2-yl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enamide

Catalog ID
STL378584
SMILES N#C/C(=C\c1cc(n(c1C)c1sc2c(c1C#N)cccc2)C)/C(=O)Nc1cc(Cl)ccc1C

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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 C26H19ClN4OS MW 470.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19ClN4OS/c1-15-8-9-20(27)12-23(15)30-25(32)19(13-28)11-18-10-16(2)31(17(18)3)26-22(14-29)21-6-4-5-7-24(21)33-26/h4-12H,1-3H3,(H,30,32)/b19-11+
InChIKey
BUQVQMXKTZZDKT-YBFXNURJSA-N
Synonyms

(2E)N(5chloro2methylphenyl)2cyano3(1(3cyano1benzothiophen2yl)25dimethyl1Hpyrrol3yl)prop2enamide
(2E)N(5CHLORO2METHYLPHENYL)2CYANO3(1(3CYANOBENZO(B)THIOPHEN2YL)25DIMETHYLPYRROL3YL)PROP2ENAMIDE
(E)N(5chloro2methylphenyl)2cyano3(1(3cyano1benzothiophen2yl)25dimethylpyrrol3yl)prop2enamide
CC1=C(C=C(C=C1)Cl)NC(=O)C(=CC2=C(N(C(=C2)C)C3=C(C4=CC=CC=C4S3)C#N)C)C#N
InChI=1SC26H19ClN4OSc1158920(27)1223(15)3025(32)19(1328)11181016(2)31(17(18)3)2622(1429)21645724(21)3326h412H13H3(H3032)b1911+
MFCD05041093
ZINC000016347262
ZINC16347262

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Available files

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