Vitas-M small molecule compound

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-{[1-(2-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetamide

Catalog ID
STK615690
SMILES O=C(NC(c1nc2c([nH]1)cccc2)C(C)C)CSc1nnnn1c1ccccc1Cl

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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 C20H20ClN7OS MW 441.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN7OS/c1-12(2)18(19-22-14-8-4-5-9-15(14)23-19)24-17(29)11-30-20-25-26-27-28(20)16-10-6-3-7-13(16)21/h3-10,12,18H,11H2,1-2H3,(H,22,23)(H,24,29)
InChIKey
NPZIILURXDOGQE-UHFFFAOYSA-N
Synonyms
879564-57-5
879564575
CC(C)C(C1=NC2=CC=CC=C2N1)NC(=O)CSC3=NN=NN3C4=CC=CC=C4Cl
InChI=1SC20H20ClN7OSc112(2)18(192214845915(14)2319)2417(29)11302025262728(20)161063713(16)21h3101218H11H212H3(H2223)(H2429)
MFCD06786897
N(1(1Hbenzimidazol2yl)2methylpropyl)2((1(2chlorophenyl)1Htetrazol5yl)sulfanyl)acetamide
N(1(1HBENZIMIDAZOL2YL)2METHYLPROPYL)2(1(2CHLOROPHENYL)TETRAZOL5YL)SULFANYLACETAMIDE
N(1(1Hbenzo(d)imidazol2yl)2methylpropyl)2((1(2chlorophenyl)1Htetrazol5yl)thio)acetamide
O=C(NC(c1nc2c((nH)1)cccc2)C(C)C)CSc1nnnn1c1ccccc1Cl
ZINC000008973051
ZINC000008973053

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Available files

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