Vitas-M small molecule compound
4-{(Z)-[1-(4-ethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenyl benzoate
Catalog ID
STK153995
SMILES CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2ccc(cc2)OC(=O)c2ccccc2)/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 C26H20N2O5 MW 440.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N2O5/c1-2-17-8-12-20(13-9-17)28-24(30)22(23(29)27-26(28)32)16-18-10-14-21(15-11-18)33-25(31)19-6-4-3-5-7-19/h3-16H,2H2,1H3,(H,27,29,32)/b22-16-InChIKey
PNELRSVGGWITJH-JWGURIENSA-NSynonyms
(4((Z)(1(4ETHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENYL)BENZOATE
4((Z)(1(4ETHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENYLBENZOATE
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)C(=O)NC2=O
CCc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(cc2)OC(=O)c2ccccc2)C1=O
InChI=1SC26H20N2O5c121781220(13917)2824(30)22(23(29)2726(28)32)1618101421(151118)3325(31)196435719h316H2H21H3(H272932)b2216
MFCD08673220
ZINC000009720763
ZINC09720763
ZINC9720763
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