Vitas-M small molecule compound
4-(4-chlorobenzyl)-5-(2-chloro-6-fluorobenzyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK444064
SMILES Clc1ccc(cc1)Cn1c(S)nnc1Cc1c(F)cccc1Cl
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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 C16H12Cl2FN3S MW 368.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12Cl2FN3S/c17-11-6-4-10(5-7-11)9-22-15(20-21-16(22)23)8-12-13(18)2-1-3-14(12)19/h1-7H,8-9H2,(H,21,23)InChIKey
GCHBIYUNUCQINH-UHFFFAOYSA-NSynonyms
3((2chloro6fluorophenyl)methyl)4((4chlorophenyl)methyl)1H124triazole5thione
4(4chlorobenzyl)5(2chloro6fluorobenzyl)4H124triazole3thiol
5((6CHLORO2FLUOROPHENYL)METHYL)4((4CHLOROPHENYL)METHYL)124TRIAZOLE3THIOL
C1=CC(=C(C(=C1)Cl)CC2=NNC(=S)N2CC3=CC=C(C=C3)Cl)F
InChI=1SC16H12Cl2FN3Sc17116410(5711)92215(202116(22)23)81213(18)21314(12)19h17H89H2(H2123)
MFCD04055258
ZINC000006828618
ZINC06828618
ZINC6828618
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