Vitas-M small molecule compound
ethyl 2-(2-amino-3-cyano-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK757989
SMILES CCOC(=O)c1c(sc2c1CCCCC2)N1C(=C(C#N)C(C2=C1CCCC2=O)c1ccccc1)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 C28H29N3O3S MW 487.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O3S/c1-2-34-28(33)24-18-12-7-4-8-15-22(18)35-27(24)31-20-13-9-14-21(32)25(20)23(19(16-29)26(31)30)17-10-5-3-6-11-17/h3,5-6,10-11,23H,2,4,7-9,12-15,30H2,1H3InChIKey
VTPLQIOBIDFPHK-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCC2)N3C4=C(C(C(=C3N)C#N)C5=CC=CC=C5)C(=O)CCC4
ethyl2(2amino3cyano5oxo4phenyl4678tetrahydroquinolin1yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2(2amino3cyano5oxo4phenyl5678tetrahydroquinolin1(4H)yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC28H29N3O3Sc123428(33)2418127481522(18)3527(24)31201391421(32)25(20)23(19(1629)26(31)30)17105361117h356101123H2479121530H21H3
MFCD01305350
ZINC000000714788
ZINC000000714789
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