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-(3,5-dimethoxyphenyl)-4H-pyran-3-carboxylate
Catalog ID
STL050501
SMILES COc1cc(OC)cc(c1)C1C(=C(CSc2nc3CCCCCc3cc2C#N)OC(=C1C#N)N)C(=O)OC(C)C
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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 C30H32N4O5S MW 560.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N4O5S/c1-17(2)38-30(35)27-25(16-40-29-20(14-31)10-18-8-6-5-7-9-24(18)34-29)39-28(33)23(15-32)26(27)19-11-21(36-3)13-22(12-19)37-4/h10-13,17,26H,5-9,16,33H2,1-4H3InChIKey
PTUMVTDHAWPWND-UHFFFAOYSA-NSynonyms
445384-31-6445384316
CC(C)OC(=O)C1=C(OC(=C(C1C2=CC(=CC(=C2)OC)OC)C#N)N)CSC3=NC4=C(CCCCC4)C=C3C#N
InChI=1SC30H32N4O5Sc117(2)3830(35)2725(16402920(1431)10188657924(18)3429)3928(33)23(1532)26(27)191121(363)1322(1219)374h10131726H591633H214H3
isopropyl6amino5cyano2(((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)thio)methyl)4(35dimethoxyphenyl)4Hpyran3carboxylate
MFCD03270474
propan2yl6amino5cyano2(((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)sulfanyl)methyl)4(35dimethoxyphenyl)4Hpyran3carboxylate
propan2yl6amino5cyano2((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)sulfanylmethyl)4(35dimethoxyphenyl)4Hpyran3carboxylate
ZINC000008451196
ZINC000008451197
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