Vitas-M small molecule compound
ethyl 2-[2-amino-3-cyano-7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK674844
SMILES CCOC(=O)c1c(sc2c1CCCCC2)N1C(=C(C#N)C(C2=C1CC(C)(C)CC2=O)c1ccc(cc1)[N+](=O)[O-])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 C30H32N4O5S MW 560.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N4O5S/c1-4-39-29(36)25-19-8-6-5-7-9-23(19)40-28(25)33-21-14-30(2,3)15-22(35)26(21)24(20(16-31)27(33)32)17-10-12-18(13-11-17)34(37)38/h10-13,24H,4-9,14-15,32H2,1-3H3InChIKey
HCTDGWAQECLJNX-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCC2)N3C4=C(C(C(=C3N)C#N)C5=CC=C(C=C5)(N+)(=O)(O))C(=O)CC(C4)(C)C
CCOC(=O)c1c(sc2c1CCCCC2)N1C(=C(C#N)C(C2=C1CC(C)(C)CC2=O)c1ccc(cc1)(N+)(=O)(O))N
ethyl2(2amino3cyano77dimethyl4(4nitrophenyl)5oxo5678tetrahydroquinolin1(4H)yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2(2amino3cyano77dimethyl4(4nitrophenyl)5oxo68dihydro4Hquinolin1yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC30H32N4O5Sc143929(36)25198657923(19)4028(25)33211430(23)1522(35)26(21)24(20(1631)27(33)32)17101218(131117)34(37)38h101324H49141532H213H3
MFCD01460898
ZINC000003667558
ZINC000003667559
Check stock
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Check stock on Vitas-MAvailable files
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