Vitas-M small molecule compound
(2E)-3-(4-butoxy-3-methoxyphenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Catalog ID
STK865917
SMILES CCCCOc1ccc(cc1OC)/C=C(/c1nc2ccccc2c(=O)[nH]1)\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 C22H21N3O3 MW 375.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O3/c1-3-4-11-28-19-10-9-15(13-20(19)27-2)12-16(14-23)21-24-18-8-6-5-7-17(18)22(26)25-21/h5-10,12-13H,3-4,11H2,1-2H3,(H,24,25,26)/b16-12+InChIKey
DZRBDKUCJGUTGZ-FOWTUZBSSA-NSynonyms
(2E)3(4butoxy3methoxyphenyl)2(4oxo34dihydroquinazolin2yl)prop2enenitrile
(E)3(4BUTOXY3METHOXYPHENYL)2(4OXO1HQUINAZOLIN2YL)PROP2ENENITRILE
CCCCOC1=C(C=C(C=C1)C=C(C#N)C2=NC(=O)C3=CC=CC=C3N2)OC
CCCCOc1ccc(cc1OC)C=C(c1nc2ccccc2c(=O)(nH)1)C#N
InChI=1SC22H21N3O3c13411281910915(1320(19)272)1216(1423)212418865717(18)22(26)2521h5101213H3411H212H3(H242526)b1612+
MFCD04215589
ZINC000004997461
ZINC4997461
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