Vitas-M small molecule compound
4-({[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}methyl)benzoate
Catalog ID
STL151162
SMILES Clc1ccc(cc1)n1c(SCc2ccc(cc2)C(=O)[O-])[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 C21H15ClN4O2S MW 422.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15ClN4O2S/c22-17-5-7-18(8-6-17)26-19(15-9-11-23-12-10-15)24-25-21(26)29-13-14-1-3-16(4-2-14)20(27)28/h1-12H,13H2,(H,27,28)InChIKey
ZRBAIHYMBKKIBP-UHFFFAOYSA-NSynonyms
613226-04-34(((4(4CHLOROPHENYL)5(4PYRIDINYL)4H124TRIAZOL3YL)THIO)METHYL)BENZOICACID
4(((4(4chlorophenyl)5(pyridin4yl)4H124triazol2ium3yl)sulfanyl)methyl)benzoate
4(((4(4CHLOROPHENYL)5(PYRIDIN4YL)4H124TRIAZOL3YL)SULFANYL)METHYL)BENZOICACID
4((4(4CHLOROPHENYL)5(4PYRIDYL)124TRIAZOL3YLTHIO)METHYL)BENZOICACID
4((4(4CHLOROPHENYL)5PYRIDIN4YL124TRIAZOL3YL)SULFANYLMETHYL)BENZOICACID
4((4(4CHLOROPHENYL)5PYRIDIN4YL1H124TRIAZOL4IUM3YL)SULFANYLMETHYL)BENZOATE
613226043
C1=CC(=CC=C1CSC2=NNC(=(N+)2C3=CC=C(C=C3)Cl)C4=CC=NC=C4)C(=O)(O)
Clc1ccc(cc1)n1c(SCc2ccc(cc2)C(=O)(O))(nH+)nc1c1ccncc1
InChI=1SC21H15ClN4O2Sc22175718(8617)2619(1591123121015)242521(26)2913141316(4214)20(27)28h112H13H2(H2728)
MFCD03473404
ZINC000009359261
ZINC9359261
Check stock
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Check stock on Vitas-MAvailable files
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