Vitas-M small molecule compound
5-[(benzylsulfanyl)methyl]-4-(3,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK440462
SMILES Clc1ccc(cc1Cl)n1c(CSCc2ccccc2)nnc1S
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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 C16H13Cl2N3S2 MW 382.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13Cl2N3S2/c17-13-7-6-12(8-14(13)18)21-15(19-20-16(21)22)10-23-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,20,22)InChIKey
NVVOQIUQVLROKR-UHFFFAOYSA-NSynonyms
3(BENZYLSULFANYLMETHYL)4(34DICHLOROPHENYL)1H124TRIAZOLE5THIONE
4(34DICHLOROPHENYL)5((PHENYLMETHYLTHIO)METHYL)124TRIAZOLE3THIOL
5((benzylsulfanyl)methyl)4(34dichlorophenyl)4H124triazole3thiol
C1=CC=C(C=C1)CSCC2=NNC(=S)N2C3=CC(=C(C=C3)Cl)Cl
InChI=1SC16H13Cl2N3S2c17137612(814(13)18)2115(192016(21)22)10239114213511h18H910H2(H2022)
MFCD03946250
ZINC000017078051
ZINC17078051
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