Vitas-M small molecule compound
(5E)-5-benzylidene-1-[4-(propan-2-yl)phenyl]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK176652
SMILES O=C1NC(=O)/C(=C\c2ccccc2)/C(=O)N1c1ccc(cc1)C(C)C
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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 C20H18N2O3 MW 334.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O3/c1-13(2)15-8-10-16(11-9-15)22-19(24)17(18(23)21-20(22)25)12-14-6-4-3-5-7-14/h3-13H,1-2H3,(H,21,23,25)/b17-12+InChIKey
OOVWHWMJLZSJKB-SFQUDFHCSA-NSynonyms
(5E)5BENZYLIDENE1(4(PROPAN2YL)PHENYL)PYRIMIDINE246(1H3H5H)TRIONE
(5E)5BENZYLIDENE1(4PROPAN2YLPHENYL)13DIAZINANE246TRIONE
CC(C)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CC=C3)C(=O)NC2=O
InChI=1SC20H18N2O3c113(2)1581016(11915)2219(24)17(18(23)2120(22)25)12146435714h313H12H3(H212325)b1712+
MFCD02628681
O=C1NC(=O)C(=Cc2ccccc2)C(=O)N1c1ccc(cc1)C(C)C
ZINC000000444925
ZINC00444925
ZINC444925
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