Vitas-M small molecule compound
2-chloro-5-({[(4-methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid
Catalog ID
STK091350
SMILES S=C(NC(=O)c1ccc(cc1)C)Nc1ccc(c(c1)C(=O)O)Cl
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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 C16H13ClN2O3S MW 348.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13ClN2O3S/c1-9-2-4-10(5-3-9)14(20)19-16(23)18-11-6-7-13(17)12(8-11)15(21)22/h2-8H,1H3,(H,21,22)(H2,18,19,20,23)InChIKey
BHPJVYVVUIFMOX-UHFFFAOYSA-NSynonyms
434308-32-42CHLORO5((((4METHYLPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOICACID
2CHLORO5((4METHYLBENZOYL)CARBAMOTHIOYLAMINO)BENZOICACID
434308324
BENZOICACID2CHLORO5((((4METHYLBENZOYL)AMINO)THIOXOMETHYL)AMINO)
CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O
InChI=1SC16H13ClN2O3Sc192410(539)14(20)1916(23)18116713(17)12(811)15(21)22h28H1H3(H2122)(H218192023)
MFCD03453782
S=C(NC(=O)c1ccc(cc1)C)Nc1ccc(c(c1)C(=O)O)Cl
STK091350
ZINC000004845174
ZINC4845174
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