Vitas-M small molecule compound

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

Catalog ID
STK998477
SMILES N#CC1=C(N)OC(=C(C1c1ccccc1Cl)C(=O)OC(C)C)CSc1nc2CCCCCc2cc1C#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/c1-16(2)35-28(34)25-23(36-26(32)20(14-31)24(25)19-9-6-7-10-21(19)29)15-37-27-18(13-30)12-17-8-4-3-5-11-22(17)33-27/h6-7,9-10,12,16,24H,3-5,8,11,15,32H2,1-2H3
InChIKey
RGJIZQGVYPQGDM-UHFFFAOYSA-N
Synonyms
445384-05-4
445384054
CC(C)OC(=O)C1=C(OC(=C(C1C2=CC=CC=C2Cl)C#N)N)CSC3=NC4=C(CCCCC4)C=C3C#N
InChI=1SC28H27ClN4O3Sc116(2)3528(34)2523(3626(32)20(1431)24(25)199671021(19)29)15372718(1330)121784351122(17)3327h67910121624H358111532H212H3
isopropyl6amino4(2chlorophenyl)5cyano2(((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)thio)methyl)4Hpyran3carboxylate
MFCD03075989
propan2yl6amino4(2chlorophenyl)5cyano2(((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)sulfanyl)methyl)4Hpyran3carboxylate
propan2yl6amino4(2chlorophenyl)5cyano2((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)sulfanylmethyl)4Hpyran3carboxylate
ZINC000008451171
ZINC000008451172

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Available files

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