Vitas-M small molecule compound

benzyl 4-(4-chlorophenyl)-6-({2-[(3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate

Catalog ID
STK885765
SMILES N#CC1=C(SCC(=O)Nc2cccc(c2)Cl)NC(=C(C1c1ccc(cc1)Cl)C(=O)OCc1ccccc1)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 C29H23Cl2N3O3S MW 564.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23Cl2N3O3S/c1-18-26(29(36)37-16-19-6-3-2-4-7-19)27(20-10-12-21(30)13-11-20)24(15-32)28(33-18)38-17-25(35)34-23-9-5-8-22(31)14-23/h2-14,27,33H,16-17H2,1H3,(H,34,35)
InChIKey
WDNRSRABQVVQTR-UHFFFAOYSA-N
Synonyms

benzyl4(4chlorophenyl)6((2((3chlorophenyl)amino)2oxoethyl)sulfanyl)5cyano2methyl14dihydropyridine3carboxylate
benzyl6(2(3chloroanilino)2oxoethyl)sulfanyl4(4chlorophenyl)5cyano2methyl14dihydropyridine3carboxylate
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC(=CC=C2)Cl)C#N)C3=CC=C(C=C3)Cl)C(=O)OCC4=CC=CC=C4
InChI=1SC29H23Cl2N3O3Sc11826(29(36)3716196324719)27(20101221(30)131120)24(1532)28(3318)381725(35)342395822(31)1423h2142733H1617H21H3(H3435)
MFCD10086282
ZINC000101563666
ZINC000101563669

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Available files

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