Vitas-M small molecule compound
ethyl 2-[2-amino-3-cyano-4-(4-ethoxyphenyl)-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK758501
SMILES CCOc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CCC2)c1sc2c(c1C(=O)OCC)CCCCC2)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 C30H33N3O4S MW 531.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N3O4S/c1-3-36-19-15-13-18(14-16-19)25-21(17-31)28(32)33(22-10-8-11-23(34)27(22)25)29-26(30(35)37-4-2)20-9-6-5-7-12-24(20)38-29/h13-16,25H,3-12,32H2,1-2H3InChIKey
YHHPJBVRDBMDJC-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C5=C(S4)CCCCC5)C(=O)OCC)N)C#N
ethyl2(2amino3cyano4(4ethoxyphenyl)5oxo4678tetrahydroquinolin1yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2(2amino3cyano4(4ethoxyphenyl)5oxo5678tetrahydroquinolin1(4H)yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC30H33N3O4Sc133619151318(141619)2521(1731)28(32)33(221081123(34)27(22)25)2926(30(35)3742)2096571224(20)3829h131625H31232H212H3
MFCD01465165
ZINC000003666724
ZINC000003666725
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