Vitas-M small molecule compound

2-({[4-(4-ethoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole

Catalog ID
STK572132
SMILES CCOc1ccc(cc1)n1c(SCc2nc3c([nH]2)cccc3)nnc1c1cccc(c1)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 C25H23N5OS MW 441.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N5OS/c1-3-31-20-13-11-19(12-14-20)30-24(18-8-6-7-17(2)15-18)28-29-25(30)32-16-23-26-21-9-4-5-10-22(21)27-23/h4-15H,3,16H2,1-2H3,(H,26,27)
InChIKey
HLUUEMNCFIDELC-UHFFFAOYSA-N
Synonyms
849000-37-9
1(3(BENZIMIDAZOL2YLMETHYLTHIO)5(3METHYLPHENYL)(124TRIAZOL4YL))4ETHOXYBENZENE
2(((4(4ETHOXYPHENYL)5(3METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)METHYL)1H13BENZODIAZOLE
2(((4(4ethoxyphenyl)5(3methylphenyl)4H124triazol3yl)sulfanyl)methyl)1Hbenzimidazole
2(((4(4ethoxyphenyl)5(mtolyl)4H124triazol3yl)thio)methyl)1Hbenzo(d)imidazole
2((4(4ETHOXYPHENYL)5(3METHYLPHENYL)124TRIAZOL3YL)SULFANYLMETHYL)1HBENZIMIDAZOLE
849000379
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4N3)C5=CC(=CC=C5)C
CCOc1ccc(cc1)n1c(SCc2nc3c((nH)2)cccc3)nnc1c1cccc(c1)C
InChI=1SC25H23N5OSc133120131119(121420)3024(1886717(2)1518)282925(30)32162326219451022(21)2723h415H316H212H3(H2627)
MFCD05679816
ZINC000008654009
ZINC08654009
ZINC8654009

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.