Vitas-M small molecule compound
(2E)-3-[(3,5-dimethylphenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Catalog ID
STK834822
SMILES N#C/C(=C\Nc1cc(C)cc(c1)C)/c1scc(n1)c1ccc(cc1)[N+](=O)[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 C20H16N4O2S MW 376.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O2S/c1-13-7-14(2)9-17(8-13)22-11-16(10-21)20-23-19(12-27-20)15-3-5-18(6-4-15)24(25)26/h3-9,11-12,22H,1-2H3/b16-11+InChIKey
XXCJZHDNQXEQHP-LFIBNONCSA-NSynonyms
374101-13-0(2E)3((35dimethylphenyl)amino)2(4(4nitrophenyl)13thiazol2yl)prop2enenitrile
(E)3((35dimethylphenyl)amino)2(4(4nitrophenyl)thiazol2yl)acrylonitrile
(E)3(35DIMETHYLANILINO)2(4(4NITROPHENYL)13THIAZOL2YL)PROP2ENENITRILE
374101130
CC1=CC(=CC(=C1)NC=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)(N+)(=O)(O))C
InChI=1SC20H16N4O2Sc113714(2)917(813)221116(1021)202319(122720)153518(6415)24(25)26h39111222H12H3b1611+
MFCD01952279
N#CC(=CNc1cc(C)cc(c1)C)c1scc(n1)c1ccc(cc1)(N+)(=O)(O)
ZINC000002283962
ZINC02283962
ZINC2283962
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