Vitas-M small molecule compound
2-chloro-5-[3-(pyridin-4-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzoic acid
Catalog ID
STK577815
SMILES OC(=O)c1cc(ccc1Cl)n1c(=S)[nH]nc1c1ccncc1
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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 C14H9ClN4O2S MW 332.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H9ClN4O2S/c15-11-2-1-9(7-10(11)13(20)21)19-12(17-18-14(19)22)8-3-5-16-6-4-8/h1-7H,(H,18,22)(H,20,21)InChIKey
YYUHGHWXROXUHV-UHFFFAOYSA-NSynonyms
728000-24-62chloro5(3(pyridin4yl)5thioxo15dihydro4H124triazol4yl)benzoicacid
2CHLORO5(3PYRIDIN4YL5SULFANYLIDENE1H124TRIAZOL4YL)BENZOICACID
728000246
C1=CC(=C(C=C1N2C(=NNC2=S)C3=CC=NC=C3)C(=O)O)Cl
InChI=1SC14H9ClN4O2Sc1511219(710(11)13(20)21)1912(171814(19)22)83516648h17H(H1822)(H2021)
MFCD07206361
OC(=O)c1cc(ccc1Cl)n1c(=S)(nH)nc1c1ccncc1
ZINC000005551293
ZINC5551293
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