Vitas-M small molecule compound

(2E)-3-[(5-methoxy-2-methyl-4-nitrophenyl)amino]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Catalog ID
STK554454
SMILES N#C/C(=C\Nc1cc(OC)c(cc1C)[N+](=O)[O-])/c1scc(n1)c1ccc(cc1)C

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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 C21H18N4O3S MW 406.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O3S/c1-13-4-6-15(7-5-13)18-12-29-21(24-18)16(10-22)11-23-17-9-20(28-3)19(25(26)27)8-14(17)2/h4-9,11-12,23H,1-3H3/b16-11+
InChIKey
PUBPWLBFGPFGOY-LFIBNONCSA-N
Synonyms
377066-16-5
(2E)3((5methoxy2methyl4nitrophenyl)amino)2(4(4methylphenyl)13thiazol2yl)prop2enenitrile
(E)3((5methoxy2methyl4nitrophenyl)amino)2(4(ptolyl)thiazol2yl)acrylonitrile
(E)3(5METHOXY2METHYL4NITROANILINO)2(4(4METHYLPHENYL)13THIAZOL2YL)PROP2ENENITRILE
377066165
CC1=CC=C(C=C1)C2=CSC(=N2)C(=CNC3=CC(=C(C=C3C)(N+)(=O)(O))OC)C#N
InChI=1SC21H18N4O3Sc1134615(7513)18122921(2418)16(1022)112317920(283)19(25(26)27)814(17)2h49111223H13H3b1611+
MFCD02983546
N#CC(=CNc1cc(OC)c(cc1C)(N+)(=O)(O))c1scc(n1)c1ccc(cc1)C
ZINC000005093482
ZINC05093482
ZINC5093482

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Available files

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