Vitas-M small molecule compound
(5Z)-5-[3-ethoxy-4-hydroxy-5-(prop-2-en-1-yl)benzylidene]-1-(3-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187900
SMILES CCOc1cccc(c1)N1C(=S)NC(=O)/C(=C/c2cc(OCC)c(c(c2)CC=C)O)/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 C24H24N2O5S MW 452.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N2O5S/c1-4-8-16-11-15(13-20(21(16)27)31-6-3)12-19-22(28)25-24(32)26(23(19)29)17-9-7-10-18(14-17)30-5-2/h4,7,9-14,27H,1,5-6,8H2,2-3H3,(H,25,28,32)/b19-12-InChIKey
CYVPOUPZVQKXKH-UNOMPAQXSA-NSynonyms
(5Z)5((3ETHOXY4HYDROXY5PROP2ENYLPHENYL)METHYLIDENE)1(3ETHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5(3ETHOXY4HYDROXY5(PROP2EN1YL)BENZYLIDENE)1(3ETHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=CC=CC(=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)OCC)O)CC=C)C(=O)NC2=S
CCOc1cccc(c1)N1C(=S)NC(=O)C(=Cc2cc(OCC)c(c(c2)CC=C)O)C1=O
InChI=1SC24H24N2O5Sc148161115(1320(21(16)27)3163)121922(28)2524(32)26(23(19)29)17971018(1417)3052h4791427H1568H223H3(H252832)b1912
MFCD02904870
ZINC000009311354
ZINC09311354
ZINC9311354
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