Vitas-M small molecule compound
(5Z)-5-{[(2-methyl-4-oxoquinazolin-3(4H)-yl)amino]methylidene}-1-(4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK201841
SMILES Cc1ccc(cc1)N1C(=O)NC(=O)/C(=C/Nn2c(C)nc3c(c2=O)cccc3)/C1=O
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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 C21H17N5O4 MW 403.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O4/c1-12-7-9-14(10-8-12)25-19(28)16(18(27)24-21(25)30)11-22-26-13(2)23-17-6-4-3-5-15(17)20(26)29/h3-11,22H,1-2H3,(H,24,27,30)/b16-11-InChIKey
CKLMAWCVJGJPCC-WJDWOHSUSA-NSynonyms
(5Z)5(((2METHYL4OXOQUINAZOLIN3(4H)YL)AMINO)METHYLIDENE)1(4METHYLPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
(5Z)5(((2METHYL4OXOQUINAZOLIN3YL)AMINO)METHYLIDENE)1(4METHYLPHENYL)13DIAZINANE246TRIONE
CC1=CC=C(C=C1)N2C(=O)C(=CNN3C(=NC4=CC=CC=C4C3=O)C)C(=O)NC2=O
Cc1ccc(cc1)N1C(=O)NC(=O)C(=CNn2c(C)nc3c(c2=O)cccc3)C1=O
InChI=1SC21H17N5O4c1127914(10812)2519(28)16(18(27)2421(25)30)11222613(2)2317643515(17)20(26)29h31122H12H3(H242730)b1611
MFCD01178340
ZINC000004739904
ZINC04739904
ZINC4739904
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