Vitas-M small molecule compound
N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-2-methyl-3-nitrobenzamide
Catalog ID
STK064926
SMILES COc1ccc(cc1Cl)NC(=S)NC(=O)c1cccc(c1C)[N+](=O)[O-]
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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 C16H14ClN3O4S MW 379.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14ClN3O4S/c1-9-11(4-3-5-13(9)20(22)23)15(21)19-16(25)18-10-6-7-14(24-2)12(17)8-10/h3-8H,1-2H3,(H2,18,19,21,25)InChIKey
CMUBJWWKBPQDDK-UHFFFAOYSA-NSynonyms
CC1=C(C=CC=C1(N+)(=O)(O))C(=O)NC(=S)NC2=CC(=C(C=C2)OC)Cl
COc1ccc(cc1Cl)NC(=S)NC(=O)c1cccc(c1C)(N+)(=O)(O)
InChI=1SC16H14ClN3O4Sc1911(43513(9)20(22)23)15(21)1916(25)18106714(242)12(17)810h38H12H3(H218192125)
MFCD03031936
N((3CHLORO4METHOXYPHENYL)CARBAMOTHIOYL)2METHYL3NITROBENZAMIDE
STK064926
ZINC000001180094
ZINC01180094
ZINC1180094
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