Vitas-M small molecule compound
(2E)-3-[(3-chloro-4-methylphenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Catalog ID
STK898167
SMILES N#C/C(=C\Nc1ccc(c(c1)Cl)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 C19H13ClN4O2S MW 396.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13ClN4O2S/c1-12-2-5-15(8-17(12)20)22-10-14(9-21)19-23-18(11-27-19)13-3-6-16(7-4-13)24(25)26/h2-8,10-11,22H,1H3/b14-10+InChIKey
XQZCMVAPRJWLSX-GXDHUFHOSA-NSynonyms
477187-50-1(2E)3((3chloro4methylphenyl)amino)2(4(4nitrophenyl)13thiazol2yl)prop2enenitrile
(E)3(3CHLORO4METHYLANILINO)2(4(4NITROPHENYL)13THIAZOL2YL)PROP2ENENITRILE
477187501
CC1=C(C=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)(N+)(=O)(O))Cl
InChI=1SC19H13ClN4O2Sc1122515(817(12)20)221014(921)192318(112719)133616(7413)24(25)26h28101122H1H3b1410+
MFCD04416921
N#CC(=CNc1ccc(c(c1)Cl)C)c1scc(n1)c1ccc(cc1)(N+)(=O)(O)
ZINC000004175292
ZINC04175292
ZINC4175292
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