Vitas-M small molecule compound
propan-2-yl 4-(4-butoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK812101
SMILES CCCCOc1ccc(cc1)C1NC(=S)NC(=C1C(=O)OC(C)C)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/c1-5-6-11-23-15-9-7-14(8-10-15)17-16(18(22)24-12(2)3)13(4)20-19(25)21-17/h7-10,12,17H,5-6,11H2,1-4H3,(H2,20,21,25)InChIKey
BJESSDGGFFNSKA-UHFFFAOYSA-NSynonyms
CCCCOC1=CC=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OC(C)C
InChI=1SC19H26N2O3Sc1561123159714(81015)1716(18(22)2412(2)3)13(4)2019(25)2117h7101217H5611H214H3(H2202125)
MFCD04445782
PROPAN2YL4(4BUTOXYPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
propan2yl4(4butoxyphenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
ZINC000006756948
ZINC000006756952
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