Vitas-M small molecule compound

2-{[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]methyl}quinazolin-4(3H)-one

Catalog ID
STL294251
SMILES Clc1ccc2c(c1)[nH]c(n2)SCc1nc2ccccc2c(=O)[nH]1

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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 C16H11ClN4OS MW 342.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11ClN4OS/c17-9-5-6-12-13(7-9)20-16(19-12)23-8-14-18-11-4-2-1-3-10(11)15(22)21-14/h1-7H,8H2,(H,19,20)(H,18,21,22)
InChIKey
LCRIHBFESMAZSA-UHFFFAOYSA-N
Synonyms

2(((6chloro1Hbenzimidazol2yl)sulfanyl)methyl)quinazolin4(3H)one
2((6CHLORO1HBENZIMIDAZOL2YL)SULFANYLMETHYL)1HQUINAZOLIN4ONE
C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NC4=C(N3)C=C(C=C4)Cl
Clc1ccc2c(c1)(nH)c(n2)SCc1nc2ccccc2c(=O)(nH)1
InChI=1SC16H11ClN4OSc179561213(79)2016(1912)238141811421310(11)15(22)2114h17H8H2(H1920)(H182122)
MFCD06512638
ZINC000004406711
ZINC04406711
ZINC4406711

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Available files

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