Vitas-M small molecule compound
(5E)-5-{4-[(4-bromobenzyl)oxy]-3-ethoxy-5-(prop-2-en-1-yl)benzylidene}-1-(3-bromophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK170142
SMILES CCOc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c2cccc(c2)Br)cc(c1OCc1ccc(cc1)Br)CC=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 C29H24Br2N2O5 MW 640.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24Br2N2O5/c1-3-6-20-13-19(15-25(37-4-2)26(20)38-17-18-9-11-21(30)12-10-18)14-24-27(34)32-29(36)33(28(24)35)23-8-5-7-22(31)16-23/h3,5,7-16H,1,4,6,17H2,2H3,(H,32,34,36)/b24-14+InChIKey
HQTTXZCPRHAQGZ-ZVHZXABRSA-NSynonyms
(5E)1(3bromophenyl)5((4((4bromophenyl)methoxy)3ethoxy5prop2enylphenyl)methylidene)13diazinane246trione
(5E)5(4((4BROMOBENZYL)OXY)3ETHOXY5(PROP2EN1YL)BENZYLIDENE)1(3BROMOPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CCOC1=CC(=CC(=C1OCC2=CC=C(C=C2)Br)CC=C)C=C3C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)Br
CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)c2cccc(c2)Br)cc(c1OCc1ccc(cc1)Br)CC=C
InChI=1SC29H24Br2N2O5c136201319(1525(3742)26(20)38171891121(30)121018)142427(34)3229(36)33(28(24)35)2385722(31)1623h35716H14617H22H3(H323436)b2414+
MFCD02194128
ZINC000097960510
ZINC97960510
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