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]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK757382
SMILES CCOC(=O)c1c(sc2c1CCCC2)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 C28H30N4O3S MW 502.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O3S/c1-4-35-27(34)23-17-9-5-6-10-21(17)36-26(23)32-19-12-28(2,3)13-20(33)24(19)22(18(14-29)25(32)30)16-8-7-11-31-15-16/h7-8,11,15,22H,4-6,9-10,12-13,30H2,1-3H3InChIKey
QKDWKOXPYKBDJP-UHFFFAOYSA-NSynonyms
311799-61-8311799618
CCOC(=O)C1=C(SC2=C1CCCC2)N3C4=C(C(C(=C3N)C#N)C5=CN=CC=C5)C(=O)CC(C4)(C)C
ethyl2(2amino3cyano77dimethyl5oxo4(pyridin3yl)5678tetrahydroquinolin1(4H)yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2amino3cyano77dimethyl5oxo4pyridin3yl68dihydro4Hquinolin1yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC28H30N4O3Sc143527(34)23179561021(17)3626(23)32191228(23)1320(33)24(19)22(18(1429)25(32)30)168711311516h78111522H46910121330H213H3
MFCD01305873
ZINC000001022989
ZINC000001022990
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