Vitas-M small molecule compound

ethyl 2-[2-amino-3-cyano-7,7-dimethyl-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
STK759177
SMILES CCOC(=O)c1c(sc2c1CCCCC2)N1C(=C(C#N)C(C2=C1CC(C)(C)CC2=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 C29H32N4O3S MW 516.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4O3S/c1-4-36-28(35)24-18-10-6-5-7-11-22(18)37-27(24)33-20-13-29(2,3)14-21(34)25(20)23(19(15-30)26(33)31)17-9-8-12-32-16-17/h8-9,12,16,23H,4-7,10-11,13-14,31H2,1-3H3
InChIKey
AMSLLWHBVZGQAZ-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCCCC2)N3C4=C(C(C(=C3N)C#N)C5=CN=CC=C5)C(=O)CC(C4)(C)C
ethyl2(2amino3cyano77dimethyl5oxo4(pyridin3yl)5678tetrahydroquinolin1(4H)yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2(2amino3cyano77dimethyl5oxo4pyridin3yl68dihydro4Hquinolin1yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC29H32N4O3Sc143628(35)2418106571122(18)3727(24)33201329(23)1421(34)25(20)23(19(1530)26(33)31)179812321617h89121623H471011131431H213H3
MFCD01460904
ZINC000000706250
ZINC000000706251

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Available files

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