Vitas-M small molecule compound

1-[(3-tert-butyl-4-methoxyphenyl)sulfonyl]-2-methyl-1H-benzimidazole

Catalog ID
STK354006
SMILES COc1ccc(cc1C(C)(C)C)S(=O)(=O)n1c(C)nc2c1cccc2

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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 C19H22N2O3S MW 358.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N2O3S/c1-13-20-16-8-6-7-9-17(16)21(13)25(22,23)14-10-11-18(24-5)15(12-14)19(2,3)4/h6-12H,1-5H3
InChIKey
SJBKDJNPWGMRQE-UHFFFAOYSA-N
Synonyms
873587-05-4
1((3(TERTBUTYL)4METHOXYPHENYL)SULFONYL)2METHYLBENZIMIDAZOLE
1((3tertbutyl4methoxyphenyl)sulfonyl)2methyl1Hbenzimidazole
1(3tertbutyl4methoxyphenyl)sulfonyl2methylbenzimidazole
873587054
CC1=NC2=CC=CC=C2N1S(=O)(=O)C3=CC(=C(C=C3)OC)C(C)(C)C
InChI=1SC19H22N2O3Sc1132016867917(16)21(13)25(2223)14101118(245)15(1214)19(23)4h612H15H3
MFCD07424620
ZINC000016780368
ZINC16780368

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Available files

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