Vitas-M small molecule compound
methyl 3-{[(2-methoxy-4-nitrophenyl)carbamothioyl]amino}-4-methylbenzoate
Catalog ID
STK472966
SMILES COC(=O)c1ccc(c(c1)NC(=S)Nc1ccc(cc1OC)[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 C17H17N3O5S MW 375.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O5S/c1-10-4-5-11(16(21)25-3)8-14(10)19-17(26)18-13-7-6-12(20(22)23)9-15(13)24-2/h4-9H,1-3H3,(H2,18,19,26)InChIKey
ARPGHJMWOFILOZ-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=C(C=C(C=C2)(N+)(=O)(O))OC
COC(=O)c1ccc(c(c1)NC(=S)Nc1ccc(cc1OC)(N+)(=O)(O))C
InChI=1SC17H17N3O5Sc1104511(16(21)253)814(10)1917(26)18137612(20(22)23)915(13)242h49H13H3(H2181926)
METHYL3((((2METHOXY4NITROPHENYL)AMINO)THIOXOMETHYL)AMINO)4METHYLBENZOATE
methyl3(((2methoxy4nitrophenyl)carbamothioyl)amino)4methylbenzoate
methyl3((2methoxy4nitrophenyl)carbamothioylamino)4methylbenzoate
MFCD07078508
ZINC000017076766
ZINC17076766
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