Vitas-M small molecule compound
5-{[(2-chlorobenzyl)sulfanyl]methyl}-4-phenyl-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK664516
SMILES Clc1ccccc1CSCc1nn(c(=S)n1c1ccccc1)C1c2ccccc2Oc2c1cccc2
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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 C29H22ClN3OS2 MW 528.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22ClN3OS2/c30-24-15-7-4-10-20(24)18-36-19-27-31-33(29(35)32(27)21-11-2-1-3-12-21)28-22-13-5-8-16-25(22)34-26-17-9-6-14-23(26)28/h1-17,28H,18-19H2InChIKey
JBXYIPOXJNPANO-UHFFFAOYSA-NSynonyms
5(((2chlorobenzyl)sulfanyl)methyl)4phenyl2(9Hxanthen9yl)24dihydro3H124triazole3thione
5((2CHLOROPHENYL)METHYLSULFANYLMETHYL)4PHENYL2(9HXANTHEN9YL)124TRIAZOLE3THIONE
C1=CC=C(C=C1)N2C(=NN(C2=S)C3C4=CC=CC=C4OC5=CC=CC=C35)CSCC6=CC=CC=C6Cl
InChI=1SC29H22ClN3OS2c302415741020(24)183619273133(29(35)32(27)21112131221)282213581625(22)342617961423(26)28h11728H1819H2
MFCD05855219
ZINC000098007090
ZINC98007090
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