Vitas-M small molecule compound
(2E)-3-(4-chloro-3-nitrophenyl)-N-{[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl}prop-2-enamide
Catalog ID
STK209389
SMILES COc1cc(ccc1OC)c1csc(n1)NC(=S)NC(=O)/C=C/c1ccc(c(c1)[N+](=O)[O-])Cl
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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 C21H17ClN4O5S2 MW 504.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN4O5S2/c1-30-17-7-5-13(10-18(17)31-2)15-11-33-21(23-15)25-20(32)24-19(27)8-4-12-3-6-14(22)16(9-12)26(28)29/h3-11H,1-2H3,(H2,23,24,25,27,32)/b8-4+InChIKey
AYBSNZDAUCTMTC-XBXARRHUSA-NSynonyms
(2E)3(4CHLORO3NITROPHENYL)N((4(34DIMETHOXYPHENYL)13THIAZOL2YL)CARBAMOTHIOYL)PROP2ENAMIDE
(2E)N(((4(34DIMETHOXYPHENYL)(13THIAZOL2YL))AMINO)THIOXOMETHYL)3(4CHLORO3NITROPHENYL)PROP2ENAMIDE
(E)3(4CHLORO3NITROPHENYL)N((4(34DIMETHOXYPHENYL)13THIAZOL2YL)CARBAMOTHIOYL)PROP2ENAMIDE
COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C=CC3=CC(=C(C=C3)Cl)(N+)(=O)(O))OC
COc1cc(ccc1OC)c1csc(n1)NC(=S)NC(=O)C=Cc1ccc(c(c1)(N+)(=O)(O))Cl
InChI=1SC21H17ClN4O5S2c130177513(1018(17)312)15113321(2315)2520(32)2419(27)84123614(22)16(912)26(28)29h311H12H3(H22324252732)b84+
MFCD03243561
ZINC000010035132
ZINC10035132
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