Vitas-M small molecule compound
3-{[(3-amino-7-fluoro-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]methyl}benzonitrile
Catalog ID
STL143561
SMILES N#Cc1cccc(c1)CSc1nc2cc(F)ccc2c(=O)n1N
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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 C16H11FN4OS MW 326.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11FN4OS/c17-12-4-5-13-14(7-12)20-16(21(19)15(13)22)23-9-11-3-1-2-10(6-11)8-18/h1-7H,9,19H2InChIKey
KRGUMNFSILLGMD-UHFFFAOYSA-NSynonyms
3(((3amino7fluoro4oxo34dihydroquinazolin2yl)sulfanyl)methyl)benzonitrile
3((3amino7fluoro4oxoquinazolin2yl)sulfanylmethyl)benzonitrile
C1=CC(=CC(=C1)CSC2=NC3=C(C=CC(=C3)F)C(=O)N2N)C#N
InChI=1SC16H11FN4OSc1712451314(712)2016(21(19)15(13)22)2391131210(611)818h17H919H2
MFCD20749396
ZINC000071327736
ZINC71327736
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