Vitas-M small molecule compound
methyl 6-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK725948
SMILES COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1ccc(cc1)Br
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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 C22H17BrClN3O4S MW 534.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17BrClN3O4S/c1-31-22(30)19-18(12-2-6-14(24)7-3-12)16(10-25)21(27-20(19)29)32-11-17(28)26-15-8-4-13(23)5-9-15/h2-9,18-19H,11H2,1H3,(H,26,28)(H,27,29)InChIKey
BVLDTURRDAGFCZ-UHFFFAOYSA-NSynonyms
COC(=O)C1C(C(=C(NC1=O)SCC(=O)NC2=CC=C(C=C2)Br)C#N)C3=CC=C(C=C3)Cl
InChI=1SC22H17BrClN3O4Sc13122(30)1918(122614(24)7312)16(1025)21(2720(19)29)321117(28)26158413(23)5915h291819H11H21H3(H2628)(H2729)
methyl6((2((4bromophenyl)amino)2oxoethyl)sulfanyl)4(4chlorophenyl)5cyano2oxo1234tetrahydropyridine3carboxylate
methyl6((2((4bromophenyl)amino)2oxoethyl)thio)4(4chlorophenyl)5cyano2oxo1234tetrahydropyridine3carboxylate
METHYL6(2(4BROMOANILINO)2OXOETHYL)SULFANYL4(4CHLOROPHENYL)5CYANO2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
MFCD01820337
ZINC000000708419
ZINC000000708422
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