Vitas-M small molecule compound
(5Z)-1-(4-chlorophenyl)-5-{3-ethoxy-4-[2-(3-ethyl-5-methylphenoxy)ethoxy]benzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK069984
SMILES CCOc1cc(ccc1OCCOc1cc(C)cc(c1)CC)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl
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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 C30H29ClN2O6 MW 549.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29ClN2O6/c1-4-20-14-19(3)15-24(16-20)38-12-13-39-26-11-6-21(18-27(26)37-5-2)17-25-28(34)32-30(36)33(29(25)35)23-9-7-22(31)8-10-23/h6-11,14-18H,4-5,12-13H2,1-3H3,(H,32,34,36)/b25-17-InChIKey
IYFSFYMTFQZKMH-UQQQWYQISA-NSynonyms
(5Z)1(4chlorophenyl)5((3ethoxy4(2(3ethyl5methylphenoxy)ethoxy)phenyl)methylidene)13diazinane246trione
(5Z)1(4CHLOROPHENYL)5(3ETHOXY4(2(3ETHYL5METHYLPHENOXY)ETHOXY)BENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CCC1=CC(=CC(=C1)C)OCCOC2=C(C=C(C=C2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Cl)OCC
CCOc1cc(ccc1OCCOc1cc(C)cc(c1)CC)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl
InChI=1SC30H29ClN2O6c14201419(3)1524(1620)381213392611621(1827(26)3752)172528(34)3230(36)33(29(25)35)239722(31)81023h6111418H451213H213H3(H323436)b2517
MFCD05975969
STK069984
ZINC000097958916
ZINC97958916
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