Vitas-M small molecule compound
(2E)-3-[(4-methoxy-2-nitrophenyl)amino]-2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Catalog ID
STK535347
SMILES COc1ccc(c(c1)[N+](=O)[O-])N/C=C(/c1scc(n1)c1cccc(c1)OC)\C#N
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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 C20H16N4O4S MW 408.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O4S/c1-27-15-5-3-4-13(8-15)18-12-29-20(23-18)14(10-21)11-22-17-7-6-16(28-2)9-19(17)24(25)26/h3-9,11-12,22H,1-2H3/b14-11+InChIKey
RBHHZXKVILSCPM-SDNWHVSQSA-NSynonyms
(2E)3((4methoxy2nitrophenyl)amino)2(4(3methoxyphenyl)13thiazol2yl)prop2enenitrile
(E)3((4methoxy2nitrophenyl)amino)2(4(3methoxyphenyl)thiazol2yl)acrylonitrile
(E)3(4METHOXY2NITROANILINO)2(4(3METHOXYPHENYL)13THIAZOL2YL)PROP2ENENITRILE
COC1=CC(=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)OC)(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))NC=C(c1scc(n1)c1cccc(c1)OC)C#N
InChI=1SC20H16N4O4Sc1271553413(815)18122920(2318)14(1021)1122177616(282)919(17)24(25)26h39111222H12H3b1411+
MFCD02983517
ZINC000004818912
ZINC04818912
ZINC4818912
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