Vitas-M small molecule compound
3-{[(3-amino-6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]methyl}benzonitrile
Catalog ID
STL167044
SMILES COc1cc2nc(SCc3cccc(c3)C#N)n(c(=O)c2cc1OC)N
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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 C18H16N4O3S MW 368.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O3S/c1-24-15-7-13-14(8-16(15)25-2)21-18(22(20)17(13)23)26-10-12-5-3-4-11(6-12)9-19/h3-8H,10,20H2,1-2H3InChIKey
MHUFJGCSZXTZMK-UHFFFAOYSA-NSynonyms
3(((3amino67dimethoxy4oxo34dihydroquinazolin2yl)sulfanyl)methyl)benzonitrile
3((3amino67dimethoxy4oxoquinazolin2yl)sulfanylmethyl)benzonitrile
COC1=C(C=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=CC(=C3)C#N)N)OC
InChI=1SC18H16N4O3Sc1241571314(816(15)252)2118(22(20)17(13)23)26101253411(612)919h38H1020H212H3
MFCD20749471
ZINC000071768854
ZINC71768854
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