Vitas-M small molecule compound
ethyl 6-[(benzylsulfanyl)methyl]-4-(4-chlorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK775367
SMILES CCOC(=O)C1=C(CSCc2ccccc2)NC(=O)NC1c1ccc(cc1)Cl
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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 C21H21ClN2O3S MW 416.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O3S/c1-2-27-20(25)18-17(13-28-12-14-6-4-3-5-7-14)23-21(26)24-19(18)15-8-10-16(22)11-9-15/h3-11,19H,2,12-13H2,1H3,(H2,23,24,26)InChIKey
KJAGRTUPPVDJPI-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CSCC3=CC=CC=C3
ethyl6((benzylsulfanyl)methyl)4(4chlorophenyl)2oxo1234tetrahydropyrimidine5carboxylate
ETHYL6(BENZYLSULFANYLMETHYL)4(4CHLOROPHENYL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC21H21ClN2O3Sc122720(25)1817(132812146435714)2321(26)2419(18)1581016(22)11915h31119H21213H21H3(H2232426)
MFCD05257205
ZINC000001070478
ZINC000001070482
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