Vitas-M small molecule compound
ethyl 6-methyl-4-[4-(pentyloxy)phenyl]-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK817038
SMILES CCCCCOc1ccc(cc1)C1NC(=S)NC(=C1C(=O)OCC)C
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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 C19H26N2O3S MW 362.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H26N2O3S/c1-4-6-7-12-24-15-10-8-14(9-11-15)17-16(18(22)23-5-2)13(3)20-19(25)21-17/h8-11,17H,4-7,12H2,1-3H3,(H2,20,21,25)InChIKey
YSVPSZAOKMCNMV-UHFFFAOYSA-NSynonyms
CCCCCOC1=CC=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC
ethyl6methyl4(4(pentyloxy)phenyl)2thioxo1234tetrahydropyrimidine5carboxylate
ETHYL6METHYL4(4PENTOXYPHENYL)2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC19H26N2O3Sc146712241510814(91115)1716(18(22)2352)13(3)2019(25)2117h81117H4712H213H3(H2202125)
MFCD04446220
ZINC000006322164
ZINC000006322295
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