Vitas-M small molecule compound
2-({[(3-methyl-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid
Catalog ID
STK100854
SMILES S=C(Nc1ccccc1C(=O)O)NC(=O)c1ccc(c(c1)C)[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 C16H13N3O5S MW 359.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O5S/c1-9-8-10(6-7-13(9)19(23)24)14(20)18-16(25)17-12-5-3-2-4-11(12)15(21)22/h2-8H,1H3,(H,21,22)(H2,17,18,20,25)InChIKey
ZNJKLBCNAYOFLV-UHFFFAOYSA-NSynonyms
533919-98-12((((3METHYL4NITROPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOICACID
2((3METHYL4NITROBENZOYL)CARBAMOTHIOYLAMINO)BENZOICACID
533919981
BENZOICACID2((((3METHYL4NITROBENZOYL)AMINO)THIOXOMETHYL)AMINO)
CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)O)(N+)(=O)(O)
InChI=1SC16H13N3O5Sc19810(6713(9)19(23)24)14(20)1816(25)1712532411(12)15(21)22h28H1H3(H2122)(H217182025)
MFCD03568957
S=C(Nc1ccccc1C(=O)O)NC(=O)c1ccc(c(c1)C)(N+)(=O)(O)
ZINC000002832592
ZINC2832592
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