Vitas-M small molecule compound
propan-2-yl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-(pyridin-4-yl)-4H-pyran-3-carboxylate
Catalog ID
STK999195
SMILES N#CC1=C(N)OC(=C(C1c1ccncc1)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 C27H27N5O3S MW 501.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O3S/c1-16(2)34-27(33)24-22(35-25(30)20(14-29)23(24)17-8-10-31-11-9-17)15-36-26-19(13-28)12-18-6-4-3-5-7-21(18)32-26/h8-12,16,23H,3-7,15,30H2,1-2H3InChIKey
MJZVQRMHVMIJDZ-UHFFFAOYSA-NSynonyms
445384-11-2445384112
CC(C)OC(=O)C1=C(OC(=C(C1C2=CC=NC=C2)C#N)N)CSC3=NC4=C(CCCCC4)C=C3C#N
InChI=1SC27H27N5O3Sc116(2)3427(33)2422(3525(30)20(1429)23(24)178103111917)15362619(1328)12186435721(18)3226h8121623H371530H212H3
isopropyl6amino5cyano2(((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)thio)methyl)4(pyridin4yl)4Hpyran3carboxylate
MFCD03234636
propan2yl6amino5cyano2(((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)sulfanyl)methyl)4(pyridin4yl)4Hpyran3carboxylate
propan2yl6amino5cyano2((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)sulfanylmethyl)4pyridin4yl4Hpyran3carboxylate
ZINC000008451187
ZINC000008451188
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