Vitas-M small molecule compound
2-chloro-5-{[(4H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}benzoic acid
Catalog ID
STK743853
SMILES O=C(Nc1ccc(c(c1)C(=O)O)Cl)CSc1nnc[nH]1
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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 C11H9ClN4O3S MW 312.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H9ClN4O3S/c12-8-2-1-6(3-7(8)10(18)19)15-9(17)4-20-11-13-5-14-16-11/h1-3,5H,4H2,(H,15,17)(H,18,19)(H,13,14,16)InChIKey
KOJVQVLFWVZZQW-UHFFFAOYSA-NSynonyms
898126-98-22chloro5(((4H124triazol3ylsulfanyl)acetyl)amino)benzoicacid
2CHLORO5((2(1H124TRIAZOL5YLSULFANYL)ACETYL)AMINO)BENZOICACID
5(2((4H124triazol3yl)thio)acetamido)2chlorobenzoicacid
898126982
C1=CC(=C(C=C1NC(=O)CSC2=NC=NN2)C(=O)O)Cl
InChI=1SC11H9ClN4O3Sc128216(37(8)10(18)19)159(17)42011135141611h135H4H2(H1517)(H1819)(H131416)
MFCD07022184
O=C(Nc1ccc(c(c1)C(=O)O)Cl)CSc1nnc(nH)1
ZINC000004769869
ZINC4769869
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