Vitas-M small molecule compound
ethyl 6-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-(2,5-diethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK777417
SMILES CCOc1ccc(c(c1)C1NC(=O)NC(=C1C(=O)OCC)CSc1nc2c([nH]1)cccc2)OCC
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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 C25H28N4O5S MW 496.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O5S/c1-4-32-15-11-12-20(33-5-2)16(13-15)22-21(23(30)34-6-3)19(26-24(31)29-22)14-35-25-27-17-9-7-8-10-18(17)28-25/h7-13,22H,4-6,14H2,1-3H3,(H,27,28)(H2,26,29,31)InChIKey
AQCIODUDUDWKMC-UHFFFAOYSA-NSynonyms
CCOC1=CC(=C(C=C1)OCC)C2C(=C(NC(=O)N2)CSC3=NC4=CC=CC=C4N3)C(=O)OCC
CCOc1ccc(c(c1)C1NC(=O)NC(=C1C(=O)OCC)CSc1nc2c((nH)1)cccc2)OCC
ETHYL4(BENZIMIDAZOL2YLTHIOMETHYL)6(25DIETHOXYPHENYL)2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
ethyl6((1Hbenzimidazol2ylsulfanyl)methyl)4(25diethoxyphenyl)2oxo1234tetrahydropyrimidine5carboxylate
ETHYL6(1HBENZIMIDAZOL2YLSULFANYLMETHYL)4(25DIETHOXYPHENYL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC25H28N4O5Sc143215111220(3352)16(1315)2221(23(30)3463)19(2624(31)2922)14352527179781018(17)2825h71322H4614H213H3(H2728)(H2262931)
MFCD05260524
ZINC000001425287
ZINC000001425288
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