Vitas-M small molecule compound
ethyl 2-[2-amino-3-cyano-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK758239
SMILES CCOC(=O)c1c(sc2c1CCCCC2)N1C(=C(C#N)C(C2=C1CCCC2=O)c1cccs1)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 C26H27N3O3S2 MW 493.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O3S2/c1-2-32-26(31)22-15-8-4-3-5-11-19(15)34-25(22)29-17-9-6-10-18(30)23(17)21(16(14-27)24(29)28)20-12-7-13-33-20/h7,12-13,21H,2-6,8-11,28H2,1H3InChIKey
NVCKZLGIMMONLV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCC2)N3C4=C(C(C(=C3N)C#N)C5=CC=CS5)C(=O)CCC4
ethyl2(2amino3cyano5oxo4(thiophen2yl)5678tetrahydroquinolin1(4H)yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2(2amino3cyano5oxo4thiophen2yl4678tetrahydroquinolin1yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC26H27N3O3S2c123226(31)221584351119(15)3425(22)2917961018(30)23(17)21(16(1427)24(29)28)20127133320h7121321H2681128H21H3
MFCD01414954
ZINC000003666368
ZINC000003666369
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