Vitas-M small molecule compound

ethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-{[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate

Catalog ID
STK747502
SMILES CCOC(=O)C1=C(CSc2nc3CCCCCCc3cc2C#N)OC(=C(C1c1ccc(cc1)Cl)C#N)N

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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 C28H27ClN4O3S MW 535.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27ClN4O3S/c1-2-35-28(34)25-23(36-26(32)21(15-31)24(25)17-9-11-20(29)12-10-17)16-37-27-19(14-30)13-18-7-5-3-4-6-8-22(18)33-27/h9-13,24H,2-8,16,32H2,1H3
InChIKey
NIXJDDAJTWNLMW-UHFFFAOYSA-N
Synonyms
339163-49-4
339163494
CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)Cl)C#N)N)CSC3=NC4=C(CCCCCC4)C=C3C#N
ethyl6amino4(4chlorophenyl)5cyano2(((3cyano5678910hexahydrocycloocta(b)pyridin2yl)sulfanyl)methyl)4Hpyran3carboxylate
ethyl6amino4(4chlorophenyl)5cyano2(((3cyano5678910hexahydrocycloocta(b)pyridin2yl)thio)methyl)4Hpyran3carboxylate
ethyl6amino4(4chlorophenyl)5cyano2((3cyano5678910hexahydrocycloocta(b)pyridin2yl)sulfanylmethyl)4Hpyran3carboxylate
InChI=1SC28H27ClN4O3Sc123528(34)2523(3626(32)21(1531)24(25)1791120(29)121017)16372719(1430)131875346822(18)3327h91324H281632H21H3
MFCD00742403
ZINC000008406105
ZINC000008406111

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Available files

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