Vitas-M small molecule compound
3-chloro-N-[(2-methyl-5-nitrophenyl)carbamothioyl]-1-benzothiophene-2-carboxamide
Catalog ID
STK126339
SMILES S=C(NC(=O)c1sc2c(c1Cl)cccc2)Nc1cc(ccc1C)[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 C17H12ClN3O3S2 MW 405.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12ClN3O3S2/c1-9-6-7-10(21(23)24)8-12(9)19-17(25)20-16(22)15-14(18)11-4-2-3-5-13(11)26-15/h2-8H,1H3,(H2,19,20,22,25)InChIKey
ZYXXWIZGKOGYQC-UHFFFAOYSA-NSynonyms
3CHLORON((2METHYL5NITROPHENYL)CARBAMOTHIOYL)1BENZOTHIOPHENE2CARBOXAMIDE
CC1=C(C=C(C=C1)(N+)(=O)(O))NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl
InChI=1SC17H12ClN3O3S2c196710(21(23)24)812(9)1917(25)2016(22)1514(18)11423513(11)2615h28H1H3(H219202225)
MFCD03587551
S=C(NC(=O)c1sc2c(c1Cl)cccc2)Nc1cc(ccc1C)(N+)(=O)(O)
ZINC000004676726
ZINC04676726
ZINC4676726
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