Vitas-M small molecule compound
ethyl 4-[2-(2-methoxy-2-oxoethoxy)naphthalen-1-yl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK754313
SMILES CCOC(=O)C1=C(C)NC(=S)NC1c1c(OCC(=O)OC)ccc2c1cccc2
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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 C21H22N2O5S MW 414.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O5S/c1-4-27-20(25)17-12(2)22-21(29)23-19(17)18-14-8-6-5-7-13(14)9-10-15(18)28-11-16(24)26-3/h5-10,19H,4,11H2,1-3H3,(H2,22,23,29)InChIKey
VLMQIGDFNVZPNC-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=S)NC1C2=C(C=CC3=CC=CC=C32)OCC(=O)OC)C
ETHYL4(2(2METHOXY2OXOETHOXY)NAPHTHALEN1YL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ethyl4(2(2methoxy2oxoethoxy)naphthalen1yl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
InChI=1SC21H22N2O5Sc142720(25)1712(2)2221(29)2319(17)1814865713(14)91015(18)281116(24)263h51019H411H213H3(H2222329)
MFCD00825551
ZINC000002490381
ZINC000002490384
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