Vitas-M small molecule compound
ethyl 2-[2-amino-3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK759179
SMILES CCOC(=O)c1c(sc2c1CCCCC2)N1C(=C(C#N)C(C2=C1CC(C)(C)CC2=O)c1ccc(cc1)F)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 C30H32FN3O3S MW 533.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32FN3O3S/c1-4-37-29(36)25-19-8-6-5-7-9-23(19)38-28(25)34-21-14-30(2,3)15-22(35)26(21)24(20(16-32)27(34)33)17-10-12-18(31)13-11-17/h10-13,24H,4-9,14-15,33H2,1-3H3InChIKey
NDXGSENJDQJTRX-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCC2)N3C4=C(C(C(=C3N)C#N)C5=CC=C(C=C5)F)C(=O)CC(C4)(C)C
ethyl2(2amino3cyano4(4fluorophenyl)77dimethyl5oxo5678tetrahydroquinolin1(4H)yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2(2amino3cyano4(4fluorophenyl)77dimethyl5oxo68dihydro4Hquinolin1yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC30H32FN3O3Sc143729(36)25198657923(19)3828(25)34211430(23)1522(35)26(21)24(20(1632)27(34)33)17101218(31)131117h101324H49141533H213H3
MFCD01460906
ZINC000003667569
ZINC000003667570
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