Vitas-M small molecule compound
4-(2-bromo-4-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK693971
SMILES Cc1ccc(c(c1)Br)n1c(S)nnc1C(C)C
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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 C12H14BrN3S MW 312.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14BrN3S/c1-7(2)11-14-15-12(17)16(11)10-5-4-8(3)6-9(10)13/h4-7H,1-3H3,(H,15,17)InChIKey
LBOCNNDSXLIKJN-UHFFFAOYSA-NSynonyms
4(2bromo4methylphenyl)3propan2yl1H124triazole5thione
4(2BROMO4METHYLPHENYL)5(PROPAN2YL)4H124TRIAZOLE3THIOL
CC1=CC(=C(C=C1)N2C(=NNC2=S)C(C)C)Br
InChI=1SC12H14BrN3Sc17(2)11141512(17)16(11)10548(3)69(10)13h47H13H3(H1517)
MFCD11203032
ZINC000015109582
ZINC15109582
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