Vitas-M small molecule compound
methyl 4-({[(4-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate
Catalog ID
STK141271
SMILES COC(=O)c1ccc(cc1)NC(=S)NC(=O)c1ccc(c(c1)[N+](=O)[O-])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 C17H15N3O5S MW 373.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O5S/c1-10-3-4-12(9-14(10)20(23)24)15(21)19-17(26)18-13-7-5-11(6-8-13)16(22)25-2/h3-9H,1-2H3,(H2,18,19,21,26)InChIKey
DDQSCNDAODCPSN-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC)(N+)(=O)(O)
COC(=O)c1ccc(cc1)NC(=S)NC(=O)c1ccc(c(c1)(N+)(=O)(O))C
InChI=1SC17H15N3O5Sc1103412(914(10)20(23)24)15(21)1917(26)18137511(6813)16(22)252h39H12H3(H218192126)
METHYL4((((4METHYL3NITROPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOATE
METHYL4((4METHYL3NITROBENZOYL)CARBAMOTHIOYLAMINO)BENZOATE
MFCD02631904
ZINC000001173196
ZINC01173196
ZINC1173196
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