Vitas-M small molecule compound
(2E)-3-(4-butoxy-3-methoxyphenyl)-2-(6-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Catalog ID
STL017456
SMILES CCCCOc1ccc(cc1OC)/C=C(/c1nc2ccc(cc2c(=O)[nH]1)Cl)\C#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 C22H20ClN3O3 MW 409.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN3O3/c1-3-4-9-29-19-8-5-14(11-20(19)28-2)10-15(13-24)21-25-18-7-6-16(23)12-17(18)22(27)26-21/h5-8,10-12H,3-4,9H2,1-2H3,(H,25,26,27)/b15-10+InChIKey
KNQPSXNSVIGIRB-XNTDXEJSSA-NSynonyms
(2E)3(4BUTOXY3METHOXYPHENYL)2(6CHLORO4OXO(3HYDROQUINAZOLIN2YL))PROP2ENENITRILE
(2E)3(4butoxy3methoxyphenyl)2(6chloro4oxo34dihydroquinazolin2yl)prop2enenitrile
(E)3(4BUTOXY3METHOXYPHENYL)2(6CHLORO4OXO1HQUINAZOLIN2YL)PROP2ENENITRILE
CCCCOC1=C(C=C(C=C1)C=C(C#N)C2=NC(=O)C3=C(N2)C=CC(=C3)Cl)OC
CCCCOc1ccc(cc1OC)C=C(c1nc2ccc(cc2c(=O)(nH)1)Cl)C#N
InChI=1SC22H20ClN3O3c134929198514(1120(19)282)1015(1324)2125187616(23)1217(18)22(27)2621h581012H349H212H3(H252627)b1510+
MFCD05847590
ZINC000004426910
ZINC4426910
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