Vitas-M small molecule compound

ethyl 2-({(E)-2-cyano-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate

Catalog ID
STK844490
SMILES CCOC(=O)c1ccccc1N/C=C(/c1scc(n1)c1cccc(c1)[N+](=O)[O-])\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 C21H16N4O4S MW 420.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O4S/c1-2-29-21(26)17-8-3-4-9-18(17)23-12-15(11-22)20-24-19(13-30-20)14-6-5-7-16(10-14)25(27)28/h3-10,12-13,23H,2H2,1H3/b15-12+
InChIKey
VCIYDRFDQZNQLA-NTCAYCPXSA-N
Synonyms
333414-45-2
(E)ethyl2((2cyano2(4(3nitrophenyl)thiazol2yl)vinyl)amino)benzoate
333414452
CCOC(=O)C1=CC=CC=C1NC=C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)(N+)(=O)(O)
CCOC(=O)c1ccccc1NC=C(c1scc(n1)c1cccc(c1)(N+)(=O)(O))C#N
ethyl2(((E)2cyano2(4(3nitrophenyl)13thiazol2yl)ethenyl)amino)benzoate
InChI=1SC21H16N4O4Sc122921(26)17834918(17)231215(1122)202419(133020)1465716(1014)25(27)28h310121323H2H21H3b1512+
MFCD03671421
ZINC000002064327
ZINC02064327
ZINC2064327

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Available files

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