Vitas-M small molecule compound
3-methyl-N-[(3-nitrophenyl)carbamothioyl]-1-benzofuran-2-carboxamide
Catalog ID
STK075162
SMILES S=C(NC(=O)c1oc2c(c1C)cccc2)Nc1cccc(c1)[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 C17H13N3O4S MW 355.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O4S/c1-10-13-7-2-3-8-14(13)24-15(10)16(21)19-17(25)18-11-5-4-6-12(9-11)20(22)23/h2-9H,1H3,(H2,18,19,21,25)InChIKey
YFMMYAXZHFQGKA-UHFFFAOYSA-NSynonyms
3METHYLN((3NITROPHENYL)CARBAMOTHIOYL)1BENZOFURAN2CARBOXAMIDE
CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC17H13N3O4Sc11013723814(13)2415(10)16(21)1917(25)181154612(911)20(22)23h29H1H3(H218192125)
MFCD03031704
S=C(NC(=O)c1oc2c(c1C)cccc2)Nc1cccc(c1)(N+)(=O)(O)
STK075162
ZINC000001178610
ZINC01178610
ZINC1178610
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