Vitas-M small molecule compound
(4-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetonitrile
Catalog ID
STK176891
SMILES N#CCOc1ccc(cc1)/C=C/1\C(=O)NC(=O)N(C1=O)c1cc(C)cc(c1)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 C21H17N3O4 MW 375.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O4/c1-13-9-14(2)11-16(10-13)24-20(26)18(19(25)23-21(24)27)12-15-3-5-17(6-4-15)28-8-7-22/h3-6,9-12H,8H2,1-2H3,(H,23,25,27)/b18-12+InChIKey
VIMLRVVPCOARQB-LDADJPATSA-NSynonyms
(4((E)(1(35DIMETHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETONITRILE
2(4((1(35DIMETHYLPHENYL)246TRIOXO13DIHYDROPYRIMIDIN5YLIDENE)METHYL)PHENOXY)ETHANENITRILE
2(4((E)(1(35DIMETHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETONITRILE
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CC=C(C=C3)OCC#N)C(=O)NC2=O)C
InChI=1SC21H17N3O4c113914(2)1116(1013)2420(26)18(19(25)2321(24)27)12153517(6415)288722h36912H8H212H3(H232527)b1812+
MFCD01655696
N#CCOc1ccc(cc1)C=C1C(=O)NC(=O)N(C1=O)c1cc(C)cc(c1)C
ZINC000004209088
ZINC04209088
ZINC4209088
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