Vitas-M small molecule compound
ethyl 2-[2-amino-3-cyano-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK757323
SMILES CCOC(=O)c1c(sc2c1CCCC2)N1C(=C(C#N)C(C2=C1CC(C)(C)CC2=O)c1ccc(cc1)CC)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 C31H35N3O3S MW 529.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N3O3S/c1-5-18-11-13-19(14-12-18)25-21(17-32)28(33)34(22-15-31(3,4)16-23(35)27(22)25)29-26(30(36)37-6-2)20-9-7-8-10-24(20)38-29/h11-14,25H,5-10,15-16,33H2,1-4H3InChIKey
UXKOJQZMWZKOFG-UHFFFAOYSA-NSynonyms
CCC1=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(4ethylphenyl)77dimethyl5oxo5678tetrahydroquinolin1(4H)yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2amino3cyano4(4ethylphenyl)77dimethyl5oxo68dihydro4Hquinolin1yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC31H35N3O3Sc1518111319(141218)2521(1732)28(33)34(221531(34)1623(35)27(22)25)2926(30(36)3762)209781024(20)3829h111425H510151633H214H3
MFCD01240684
ZINC000002188821
ZINC000002188822
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