Vitas-M small molecule compound
ethyl 2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK759107
SMILES CCOC(=O)c1c(sc2c1CCCCC2)N1C(=C(C#N)C(C2=C1CC(C)(C)CC2=O)c1ccccc1)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 C30H33N3O3S MW 515.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N3O3S/c1-4-36-29(35)25-19-13-9-6-10-14-23(19)37-28(25)33-21-15-30(2,3)16-22(34)26(21)24(20(17-31)27(33)32)18-11-7-5-8-12-18/h5,7-8,11-12,24H,4,6,9-10,13-16,32H2,1-3H3InChIKey
JWBOYYQXFNUKTN-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCC2)N3C4=C(C(C(=C3N)C#N)C5=CC=CC=C5)C(=O)CC(C4)(C)C
ethyl2(2amino3cyano77dimethyl5oxo4phenyl5678tetrahydroquinolin1(4H)yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2(2amino3cyano77dimethyl5oxo4phenyl68dihydro4Hquinolin1yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC30H33N3O3Sc143629(35)25191396101423(19)3728(25)33211530(23)1622(34)26(21)24(20(1731)27(33)32)18117581218h578111224H46910131632H213H3
MFCD01460727
ZINC000002188852
ZINC000002188853
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