Vitas-M small molecule compound
(5Z)-5-{3-ethoxy-4-[2-(naphthalen-1-ylsulfanyl)ethoxy]benzylidene}-1-(4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK070389
SMILES CCOc1cc(ccc1OCCSc1cccc2c1cccc2)/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 C32H28N2O5S MW 552.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28N2O5S/c1-3-38-28-20-22(19-26-30(35)33-32(37)34(31(26)36)24-14-11-21(2)12-15-24)13-16-27(28)39-17-18-40-29-10-6-8-23-7-4-5-9-25(23)29/h4-16,19-20H,3,17-18H2,1-2H3,(H,33,35,37)/b26-19-InChIKey
XQNQNDBIZXFJNE-XHPQRKPJSA-NSynonyms
(5Z)5((3ETHOXY4(2NAPHTHALEN1YLSULFANYLETHOXY)PHENYL)METHYLIDENE)1(4METHYLPHENYL)13DIAZINANE246TRIONE
(5Z)5(3ETHOXY4(2(NAPHTHALEN1YLSULFANYL)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)OCCSC4=CC=CC5=CC=CC=C54
CCOc1cc(ccc1OCCSc1cccc2c1cccc2)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)C
InChI=1SC32H28N2O5Sc1338282022(192630(35)3332(37)34(31(26)36)24141121(2)121524)131627(28)3917184029106823745925(23)29h4161920H31718H212H3(H333537)b2619
MFCD01873575
STK070389
ZINC000100098957
ZINC100098957
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