Vitas-M small molecule compound
3-({[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid
Catalog ID
STL417518
SMILES Clc1ccc(cc1)c1nnc([nH]1)SCc1cccc(c1)C(=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 C16H12ClN3O2S MW 345.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClN3O2S/c17-13-6-4-11(5-7-13)14-18-16(20-19-14)23-9-10-2-1-3-12(8-10)15(21)22/h1-8H,9H2,(H,21,22)(H,18,19,20)InChIKey
FNGDQHMRRSQVLN-UHFFFAOYSA-NSynonyms
3(((5(4chlorophenyl)4H124triazol3yl)sulfanyl)methyl)benzoicacid
3((5(4CHLOROPHENYL)1H124TRIAZOL3YL)SULFANYLMETHYL)BENZOICACID
C1=CC(=CC(=C1)CSC2=NNC(=N2)C3=CC=C(C=C3)Cl)C(=O)O
Clc1ccc(cc1)c1nnc((nH)1)SCc1cccc(c1)C(=O)O
InChI=1SC16H12ClN3O2Sc17136411(5713)141816(201914)2391021312(810)15(21)22h18H9H2(H2122)(H181920)
MFCD05814393
ZINC000006414450
ZINC6414450
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