Vitas-M small molecule compound

prop-2-en-1-yl 6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate

Catalog ID
STK841381
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)NCc1ccccc1

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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 C26H24ClN3O3S MW 494.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24ClN3O3S/c1-3-13-33-26(32)23-17(2)30-25(21(14-28)24(23)19-9-11-20(27)12-10-19)34-16-22(31)29-15-18-7-5-4-6-8-18/h3-12,24,30H,1,13,15-16H2,2H3,(H,29,31)
InChIKey
BAEOGMVGXCPDGK-UHFFFAOYSA-N
Synonyms
442556-50-5
442556505
ALLYL6((2(BENZYLAMINO)2OXOETHYL)SULFANYL)4(4CHLOROPHENYL)5CYANO2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ALLYL6((2(BENZYLAMINO)2OXOETHYL)THIO)4(4CHLOROPHENYL)5CYANO2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
CC1=C(C(C(=C(N1)SCC(=O)NCC2=CC=CC=C2)C#N)C3=CC=C(C=C3)Cl)C(=O)OCC=C
InChI=1SC26H24ClN3O3Sc13133326(32)2317(2)3025(21(1428)24(23)1991120(27)121019)341622(31)2915187546818h3122430H1131516H22H3(H2931)
MFCD03303243
prop2en1yl6((2(benzylamino)2oxoethyl)sulfanyl)4(4chlorophenyl)5cyano2methyl14dihydropyridine3carboxylate
PROP2ENYL6(2(BENZYLAMINO)2OXOETHYL)SULFANYL4(4CHLOROPHENYL)5CYANO2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000019901137
ZINC000019901139

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Available files

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