Vitas-M small molecule compound
(2E)-3-[4-(methylsulfanyl)phenyl]-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Catalog ID
STK705347
SMILES N#C/C(=C\c1ccc(cc1)SC)/c1nc2ccccc2c(=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 C18H13N3OS MW 319.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N3OS/c1-23-14-8-6-12(7-9-14)10-13(11-19)17-20-16-5-3-2-4-15(16)18(22)21-17/h2-10H,1H3,(H,20,21,22)/b13-10+InChIKey
NCLFMLAPUSKYRV-JLHYYAGUSA-NSynonyms
620584-87-4(2E)3(4(methylsulfanyl)phenyl)2(4oxo34dihydroquinazolin2yl)prop2enenitrile
(E)3(4METHYLSULFANYLPHENYL)2(4OXO1HQUINAZOLIN2YL)PROP2ENENITRILE
620584874
CSC1=CC=C(C=C1)C=C(C#N)C2=NC(=O)C3=CC=CC=C3N2
InChI=1SC18H13N3OSc123148612(7914)1013(1119)172016532415(16)18(22)2117h210H1H3(H202122)b1310+
MFCD04214690
N#CC(=Cc1ccc(cc1)SC)c1nc2ccccc2c(=O)(nH)1
ZINC000008568484
ZINC8568484
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