Vitas-M small molecule compound
(5E)-1-(4-ethylphenyl)-5-(4-hydroxy-3-methoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK191572
SMILES CCc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2ccc(c(c2)OC)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 C20H18N2O4S MW 382.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O4S/c1-3-12-4-7-14(8-5-12)22-19(25)15(18(24)21-20(22)27)10-13-6-9-16(23)17(11-13)26-2/h4-11,23H,3H2,1-2H3,(H,21,24,27)/b15-10+InChIKey
SGGCFXNEDRQSAP-XNTDXEJSSA-NSynonyms
(5E)1(4ETHYLPHENYL)5((4HYDROXY3METHOXYPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(4ETHYLPHENYL)5(4HYDROXY3METHOXYBENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)O)OC)C(=O)NC2=S
CCc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(c(c2)OC)O)C1=O
InChI=1SC20H18N2O4Sc13124714(8512)2219(25)15(18(24)2120(22)27)10136916(23)17(1113)262h41123H3H212H3(H212427)b1510+
MFCD02107360
ZINC000001202672
ZINC01202672
ZINC1202672
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