Vitas-M small molecule compound

methyl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-(2-fluoro-5-methoxyphenyl)-4H-pyran-3-carboxylate

Catalog ID
STK547529
SMILES COc1ccc(c(c1)C1C(=C(CSc2nc3CCCCCc3cc2C#N)OC(=C1C#N)N)C(=O)OC)F

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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 C27H25FN4O4S MW 520.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25FN4O4S/c1-34-17-8-9-20(28)18(11-17)23-19(13-30)25(31)36-22(24(23)27(33)35-2)14-37-26-16(12-29)10-15-6-4-3-5-7-21(15)32-26/h8-11,23H,3-7,14,31H2,1-2H3
InChIKey
YSLYLGYYOGOQCN-UHFFFAOYSA-N
Synonyms
445384-60-1
445384601
COC1=CC(=C(C=C1)F)C2C(=C(OC(=C2C(=O)OC)CSC3=NC4=C(CCCCC4)C=C3C#N)N)C#N
InChI=1SC27H25FN4O4Sc134178920(28)18(1117)2319(1330)25(31)3622(24(23)27(33)352)14372616(1229)10156435721(15)3226h81123H371431H212H3
methyl6amino5cyano2(((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)sulfanyl)methyl)4(2fluoro5methoxyphenyl)4Hpyran3carboxylate
methyl6amino5cyano2(((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)thio)methyl)4(2fluoro5methoxyphenyl)4Hpyran3carboxylate
methyl6amino5cyano2((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)sulfanylmethyl)4(2fluoro5methoxyphenyl)4Hpyran3carboxylate
MFCD03234657
ZINC000008451209
ZINC000008451210

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Available files

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