Vitas-M small molecule compound
ethyl 2-[2-amino-3-cyano-4-(4-ethoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK757819
SMILES CCOc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1sc2c(c1C(=O)OCC)CCCC2)C#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 C31H35N3O4S MW 545.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N3O4S/c1-5-37-19-13-11-18(12-14-19)25-21(17-32)28(33)34(22-15-31(3,4)16-23(35)27(22)25)29-26(30(36)38-6-2)20-9-7-8-10-24(20)39-29/h11-14,25H,5-10,15-16,33H2,1-4H3InChIKey
DTEDMOALVBUZPH-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=C(C5=C(S4)CCCC5)C(=O)OCC)N)C#N
ethyl2(2amino3cyano4(4ethoxyphenyl)77dimethyl5oxo5678tetrahydroquinolin1(4H)yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2amino3cyano4(4ethoxyphenyl)77dimethyl5oxo68dihydro4Hquinolin1yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC31H35N3O4Sc153719131118(121419)2521(1732)28(33)34(221531(34)1623(35)27(22)25)2926(30(36)3862)209781024(20)3929h111425H510151633H214H3
MFCD01305077
ZINC000003666032
ZINC000003666033
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