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-(3-methoxyphenyl)-4H-pyran-3-carboxylate
Catalog ID
STL000597
SMILES COc1cccc(c1)C1C(=C(CSc2nc3CCCCCc3cc2C#N)OC(=C1C#N)N)C(=O)OC
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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 C27H26N4O4S MW 502.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O4S/c1-33-19-9-6-8-17(12-19)23-20(14-29)25(30)35-22(24(23)27(32)34-2)15-36-26-18(13-28)11-16-7-4-3-5-10-21(16)31-26/h6,8-9,11-12,23H,3-5,7,10,15,30H2,1-2H3InChIKey
UZOWGZHITSFTGD-UHFFFAOYSA-NSynonyms
445384-08-7445384087
COC1=CC=CC(=C1)C2C(=C(OC(=C2C(=O)OC)CSC3=NC4=C(CCCCC4)C=C3C#N)N)C#N
InChI=1SC27H26N4O4Sc1331996817(1219)2320(1429)25(30)3522(24(23)27(32)342)15362618(1328)111674351021(16)3126h689111223H357101530H212H3
methyl6amino5cyano2(((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)sulfanyl)methyl)4(3methoxyphenyl)4Hpyran3carboxylate
methyl6amino5cyano2(((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)thio)methyl)4(3methoxyphenyl)4Hpyran3carboxylate
methyl6amino5cyano2((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)sulfanylmethyl)4(3methoxyphenyl)4Hpyran3carboxylate
MFCD03234635
ZINC000008451175
ZINC000008451176
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Check stock on Vitas-MAvailable files
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