Vitas-M small molecule compound
ethyl 2-[2-amino-3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK758504
SMILES CCOC(=O)c1c(sc2c1CCCCC2)N1C(=C(C#N)C(C2=C1CCCC2=O)c1cc(OC)c(c(c1)OC)OC)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 C31H35N3O6S MW 577.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N3O6S/c1-5-40-31(36)26-18-10-7-6-8-13-24(18)41-30(26)34-20-11-9-12-21(35)27(20)25(19(16-32)29(34)33)17-14-22(37-2)28(39-4)23(15-17)38-3/h14-15,25H,5-13,33H2,1-4H3InChIKey
QZBGJINMPGAWHO-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCC2)N3C4=C(C(C(=C3N)C#N)C5=CC(=C(C(=C5)OC)OC)OC)C(=O)CCC4
ethyl2(2amino3cyano5oxo4(345trimethoxyphenyl)4678tetrahydroquinolin1yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2(2amino3cyano5oxo4(345trimethoxyphenyl)5678tetrahydroquinolin1(4H)yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC31H35N3O6Sc154031(36)2618107681324(18)4130(26)34201191221(35)27(20)25(19(1632)29(34)33)171422(372)28(394)23(1517)383h141525H51333H214H3
MFCD01465169
ZINC000003666730
ZINC000003666731
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