Vitas-M small molecule compound
methyl 4-({(E)-2-cyano-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate
Catalog ID
STK878468
SMILES N#C/C(=C\Nc1ccc(cc1)C(=O)OC)/c1scc(n1)c1ccc(c(c1)OC)OC
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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 C22H19N3O4S MW 421.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O4S/c1-27-19-9-6-15(10-20(19)28-2)18-13-30-21(25-18)16(11-23)12-24-17-7-4-14(5-8-17)22(26)29-3/h4-10,12-13,24H,1-3H3/b16-12+InChIKey
CXHVIZYENJQYON-FOWTUZBSSA-NSynonyms
1021230-41-01021230410
COC1=C(C=C(C=C1)C2=CSC(=N2)C(=CNC3=CC=C(C=C3)C(=O)OC)C#N)OC
InChI=1SC22H19N3O4Sc127199615(1020(19)282)18133021(2518)16(1123)1224177414(5817)22(26)293h410121324H13H3b1612+
methyl4(((E)2cyano2(4(34dimethoxyphenyl)13thiazol2yl)ethenyl)amino)benzoate
MFCD11992852
N#CC(=CNc1ccc(cc1)C(=O)OC)c1scc(n1)c1ccc(c(c1)OC)OC
ZINC000016960065
ZINC16960065
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