Vitas-M small molecule compound

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

Catalog ID
STK508219
SMILES COc1cc(ccc1OC)c1nnc(n1c1ccccc1)SCc1nc2c([nH]1)cccc2

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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 C24H21N5O2S MW 443.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N5O2S/c1-30-20-13-12-16(14-21(20)31-2)23-27-28-24(29(23)17-8-4-3-5-9-17)32-15-22-25-18-10-6-7-11-19(18)26-22/h3-14H,15H2,1-2H3,(H,25,26)
InChIKey
NNLBBWNDZJBJHF-UHFFFAOYSA-N
Synonyms
311783-85-4
2(((5(34dimethoxyphenyl)4phenyl4H124triazol3yl)sulfanyl)methyl)1Hbenzimidazole
2(((5(34DIMETHOXYPHENYL)4PHENYL4H124TRIAZOL3YL)THIO)METHYL)1HBENZIMIDAZOLE
2((5(34DIMETHOXYPHENYL)4PHENYL124TRIAZOL3YL)SULFANYLMETHYL)1HBENZIMIDAZOLE
311783854
4(5(BENZIMIDAZOL2YLMETHYLTHIO)4PHENYL(124TRIAZOL3YL))12DIMETHOXYBENZENE
COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=NC5=CC=CC=C5N4)OC
COc1cc(ccc1OC)c1nnc(n1c1ccccc1)SCc1nc2c((nH)1)cccc2
InChI=1SC24H21N5O2Sc13020131216(1421(20)312)23272824(29(23)178435917)321522251810671119(18)2622h314H15H212H3(H2526)
MFCD00754641
ZINC000000705083
ZINC00705083
ZINC705083

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Available files

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