Vitas-M small molecule compound

2-{[(2E)-4,7-dimethylquinazolin-2(3H)-ylidene]amino}-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-4(1H)-one

Catalog ID
STL044341
SMILES Cc1ccc(cc1)SCc1cc(=O)nc([nH]1)/N=c/1\[nH]c(C)c2c(n1)cc(cc2)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 C22H21N5OS MW 403.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5OS/c1-13-4-7-17(8-5-13)29-12-16-11-20(28)26-22(24-16)27-21-23-15(3)18-9-6-14(2)10-19(18)25-21/h4-11H,12H2,1-3H3,(H2,23,24,25,26,27,28)
InChIKey
YKUSHFGLWXCCAP-UHFFFAOYSA-N
Synonyms
384374-94-1
384374941
Cc1ccc(cc1)SCc1cc(=O)nc((nH)1)N=c1(nH)c(C)c2c(n1)cc(cc2)C
MFCD03793476
ZINC000005045070

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Available files

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