Vitas-M small molecule compound
2-phenoxyethyl 4-(4-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK091592
SMILES COc1ccc(cc1)C1NC(=S)NC(=C1C(=O)OCCOc1ccccc1)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 C21H22N2O4S MW 398.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4S/c1-14-18(20(24)27-13-12-26-17-6-4-3-5-7-17)19(23-21(28)22-14)15-8-10-16(25-2)11-9-15/h3-11,19H,12-13H2,1-2H3,(H2,22,23,28)InChIKey
VBRFXLBYYGLCJH-UHFFFAOYSA-NSynonyms
2PHENOXYETHYL4(4METHOXYPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
2phenoxyethyl4(4methoxyphenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
2PHENOXYETHYL6(4METHOXYPHENYL)4METHYL2THIOXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)OC)C(=O)OCCOC3=CC=CC=C3
COc1ccc(cc1)C1NC(=S)NC(=C1C(=O)OCCOc1ccccc1)C
InChI=1SC21H22N2O4Sc11418(20(24)27131226176435717)19(2321(28)2214)1581016(252)11915h31119H1213H212H3(H2222328)
MFCD01151994
STK091592
ZINC000004150463
ZINC000004150464
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