Vitas-M small molecule compound
ethyl 2-[2-amino-3-cyano-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK757987
SMILES CCOC(=O)c1c(sc2c1CCCCC2)N1C(=C(C#N)C(C2=C1CCCC2=O)c1cccnc1)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 C27H28N4O3S MW 488.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O3S/c1-2-34-27(33)23-17-9-4-3-5-12-21(17)35-26(23)31-19-10-6-11-20(32)24(19)22(18(14-28)25(31)29)16-8-7-13-30-15-16/h7-8,13,15,22H,2-6,9-12,29H2,1H3InChIKey
KHAHKRPZBMGOGC-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCC2)N3C4=C(C(C(=C3N)C#N)C5=CN=CC=C5)C(=O)CCC4
ethyl2(2amino3cyano5oxo4(pyridin3yl)5678tetrahydroquinolin1(4H)yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2(2amino3cyano5oxo4pyridin3yl4678tetrahydroquinolin1yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC27H28N4O3Sc123427(33)231794351221(17)3526(23)31191061120(32)24(19)22(18(1428)25(31)29)168713301516h78131522H2691229H21H3
MFCD01305348
ZINC000000714780
ZINC000000714781
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