Vitas-M small molecule compound
ethyl 6-{2-[(2-cyanobenzyl)oxy]phenyl}-4-phenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate
Catalog ID
STK114597
SMILES CCOC(=O)C1=C(N=C(NC1c1ccccc1OCc1ccccc1C#N)S)c1ccccc1
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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 C27H23N3O3S MW 469.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O3S/c1-2-32-26(31)23-24(18-10-4-3-5-11-18)29-27(34)30-25(23)21-14-8-9-15-22(21)33-17-20-13-7-6-12-19(20)16-28/h3-15,25H,2,17H2,1H3,(H2,29,30,34)InChIKey
QOKQPPHZJXNENL-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=S)NC1C2=CC=CC=C2OCC3=CC=CC=C3C#N)C4=CC=CC=C4
ETHYL4(2((2CYANOPHENYL)METHOXY)PHENYL)6PHENYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ETHYL6(2((2CYANOBENZYL)OXY)PHENYL)4PHENYL2SULFANYL16DIHYDROPYRIMIDINE5CARBOXYLATE
InChI=1SC27H23N3O3Sc123226(31)2324(18104351118)2927(34)3025(23)2114891522(21)33172013761219(20)1628h31525H217H21H3(H2293034)
MFCD03995490
ZINC000018093611
ZINC000018093613
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