Vitas-M small molecule compound

3-[(2-chlorobenzyl)sulfanyl]-5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole

Catalog ID
STK123700
SMILES COc1cccc(c1)c1nnc(n1c1ccccc1)SCc1ccccc1Cl

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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/c1-27-19-12-7-9-16(14-19)21-24-25-22(26(21)18-10-3-2-4-11-18)28-15-17-8-5-6-13-20(17)23/h2-14H,15H2,1H3
InChIKey
JEJOVZGUFAALCZ-UHFFFAOYSA-N
Synonyms
331003-19-1
3((2CHLOROBENZYL)SULFANYL)5(3METHOXYPHENYL)4PHENYL4H124TRIAZOLE
3((2chlorobenzyl)thio)5(3methoxyphenyl)4phenyl4H124triazole
3((2CHLOROPHENYL)METHYLSULFANYL)5(3METHOXYPHENYL)4PHENYL124TRIAZOLE
3(2CHLOROBENZYLSULFANYL)5(3METHOXYPHENYL)4PHENYL4H(124)TRIAZOLE
3(5((2CHLOROBENZYL)SULFANYL)4PHENYL4H124TRIAZOL3YL)PHENYLMETHYLETHER
331003191
COC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC=C4Cl
InChI=1SC22H18ClN3OSc12719127916(1419)21242522(26(21)18103241118)2815178561320(17)23h214H15H21H3
MFCD00683263
ZINC000002356016
ZINC02356016
ZINC2356016

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Available files

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