Vitas-M small molecule compound
N-{[2-(3-chloro-4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-4-methoxy-3-nitrobenzamide
Catalog ID
STK036392
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccc2c(c1)nn(n2)c1ccc(c(c1)Cl)C
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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 C22H17ClN6O4S MW 496.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN6O4S/c1-12-3-6-15(11-16(12)23)28-26-17-7-5-14(10-18(17)27-28)24-22(34)25-21(30)13-4-8-20(33-2)19(9-13)29(31)32/h3-11H,1-2H3,(H2,24,25,30,34)InChIKey
CWFCHGWSJJBOJP-UHFFFAOYSA-NSynonyms
425680-65-5425680655
CC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)(N+)(=O)(O))Cl
COc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1ccc2c(c1)nn(n2)c1ccc(c(c1)Cl)C
InChI=1SC22H17ClN6O4Sc1123615(1116(12)23)2826177514(1018(17)2728)2422(34)2521(30)134820(332)19(913)29(31)32h311H12H3(H224253034)
MFCD02625232
N((2(3CHLORO4METHYLPHENYL)2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)4METHOXY3NITROBENZAMIDE
N((2(3CHLORO4METHYLPHENYL)BENZOTRIAZOL5YL)CARBAMOTHIOYL)4METHOXY3NITROBENZAMIDE
STK036392
ZINC000002982837
ZINC02982837
ZINC2982837
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