Vitas-M small molecule compound
3-(benzylsulfanyl)-4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazole
Catalog ID
STK049924
SMILES COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)SCc1ccccc1
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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 C22H18ClN3OS MW 407.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClN3OS/c1-27-20-13-7-17(8-14-20)21-24-25-22(28-15-16-5-3-2-4-6-16)26(21)19-11-9-18(23)10-12-19/h2-14H,15H2,1H3InChIKey
HAXVHPAHUCABIP-UHFFFAOYSA-NSynonyms
499101-45-01(4(4CHLOROPHENYL)5(PHENYLMETHYLTHIO)(124TRIAZOL3YL))4METHOXYBENZENE
3(BENZYLSULFANYL)4(4CHLOROPHENYL)5(4METHOXYPHENYL)4H124TRIAZOLE
3(benzylthio)4(4chlorophenyl)5(4methoxyphenyl)4H124triazole
3BENZYLSULFANYL4(4CHLOROPHENYL)5(4METHOXYPHENYL)124TRIAZOLE
499101450
COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4=CC=CC=C4
COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)SCc1ccccc1
InChI=1SC22H18ClN3OSc1272013717(81420)21242522(2815165324616)26(21)1911918(23)101219h214H15H21H3
MFCD03223239
STK049924
ZINC000002367481
ZINC02367481
ZINC2367481
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