Vitas-M small molecule compound
(5Z)-5-{3-chloro-5-ethoxy-4-[2-(4-methylphenoxy)ethoxy]benzylidene}-1-(4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK063012
SMILES CCOc1cc(cc(c1OCCOc1ccc(cc1)C)Cl)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)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 C29H27ClN2O6 MW 535.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27ClN2O6/c1-4-36-25-17-20(16-24(30)26(25)38-14-13-37-22-11-7-19(3)8-12-22)15-23-27(33)31-29(35)32(28(23)34)21-9-5-18(2)6-10-21/h5-12,15-17H,4,13-14H2,1-3H3,(H,31,33,35)/b23-15-InChIKey
GRUQAFVGAQOQJP-HAHDFKILSA-NSynonyms
(5Z)5((3chloro5ethoxy4(2(4methylphenoxy)ethoxy)phenyl)methylidene)1(4methylphenyl)13diazinane246trione
(5Z)5(3CHLORO5ETHOXY4(2(4METHYLPHENOXY)ETHOXY)BENZYLIDENE)1(4METHYLPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)C)Cl)OCCOC4=CC=C(C=C4)C
CCOc1cc(cc(c1OCCOc1ccc(cc1)C)Cl)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)C
InChI=1SC29H27ClN2O6c1436251720(1624(30)26(25)381413372211719(3)81222)152327(33)3129(35)32(28(23)34)219518(2)61021h5121517H41314H213H3(H313335)b2315
MFCD01873506
STK063012
ZINC000100230228
ZINC100230228
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