Vitas-M small molecule compound
(2E)-2-cyano-N-[5-(4-methylbenzyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide
Catalog ID
STL021681
SMILES N#C/C(=C\c1cccc(c1)[N+](=O)[O-])/C(=O)Nc1ncc(s1)Cc1ccc(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 C21H16N4O3S MW 404.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O3S/c1-14-5-7-15(8-6-14)11-19-13-23-21(29-19)24-20(26)17(12-22)9-16-3-2-4-18(10-16)25(27)28/h2-10,13H,11H2,1H3,(H,23,24,26)/b17-9+InChIKey
CDNYUOKYHRTTAT-RQZCQDPDSA-NSynonyms
(2E)2CYANON(5((4METHYLPHENYL)METHYL)(13THIAZOL2YL))3(3NITROPHENYL)PROP2ENAMIDE
(2E)2cyanoN(5(4methylbenzyl)13thiazol2yl)3(3nitrophenyl)prop2enamide
(E)2CYANON(5((4METHYLPHENYL)METHYL)13THIAZOL2YL)3(3NITROPHENYL)PROP2ENAMIDE
CC1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)C(=CC3=CC(=CC=C3)(N+)(=O)(O))C#N
InChI=1SC21H16N4O3Sc1145715(8614)1119132321(2919)2420(26)17(1222)91632418(1016)25(27)28h21013H11H21H3(H232426)b179+
MFCD02979484
N#CC(=Cc1cccc(c1)(N+)(=O)(O))C(=O)Nc1ncc(s1)Cc1ccc(cc1)C
ZINC000004749782
ZINC04749782
ZINC4749782
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