Vitas-M small molecule compound
4-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-ethoxyphenyl 4-methylbenzoate
Catalog ID
STK899317
SMILES CCOc1cc(ccc1OC(=O)c1ccc(cc1)C)C=C1C(=O)NC(=S)NC1=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 C21H18N2O5S MW 410.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O5S/c1-3-27-17-11-13(10-15-18(24)22-21(29)23-19(15)25)6-9-16(17)28-20(26)14-7-4-12(2)5-8-14/h4-11H,3H2,1-2H3,(H2,22,23,24,25,29)InChIKey
TYTQUFRXZVEJIF-UHFFFAOYSA-NSynonyms
(4((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2ETHOXYPHENYL)4METHYLBENZOATE
4((46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)2ETHOXYPHENYL4METHYLBENZOATE
4((46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)2ethoxyphenyl4methylbenzoate
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=S)NC2=O)OC(=O)C3=CC=C(C=C3)C
InChI=1SC21H18N2O5Sc1327171113(101518(24)2221(29)2319(15)25)6916(17)2820(26)147412(2)5814h411H3H212H3(H22223242529)
MFCD02643728
ZINC000000685048
ZINC00685048
ZINC685048
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