Vitas-M small molecule compound
(5Z)-5-(3-methoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}benzylidene)-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK005139
SMILES COc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2ccc(c(c2)OC)OCCSc2ccc(cc2)C)/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 C28H26N2O6S MW 518.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O6S/c1-18-4-11-22(12-5-18)37-15-14-36-24-13-6-19(17-25(24)35-3)16-23-26(31)29-28(33)30(27(23)32)20-7-9-21(34-2)10-8-20/h4-13,16-17H,14-15H2,1-3H3,(H,29,31,33)/b23-16-InChIKey
GLGWRMGDBYJIMP-KQWNVCNZSA-NSynonyms
(5Z)5((3methoxy4(2(4methylphenyl)sulfanylethoxy)phenyl)methylidene)1(4methoxyphenyl)13diazinane246trione
(5Z)5(3METHOXY4(2((4METHYLPHENYL)SULFANYL)ETHOXY)BENZYLIDENE)1(4METHOXYPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CC1=CC=C(C=C1)SCCOC2=C(C=C(C=C2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)OC)OC
COc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(c(c2)OC)OCCSc2ccc(cc2)C)C1=O
InChI=1SC28H26N2O6Sc11841122(12518)371514362413619(1725(24)353)162326(31)2928(33)30(27(23)32)207921(342)10820h4131617H1415H213H3(H293133)b2316
MFCD02109740
STK005139
ZINC000012285250
ZINC12285250
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