Vitas-M small molecule compound
methyl 2-[2-amino-4-(1,3-benzodioxol-5-yl)-3-cyano-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK758506
SMILES N#CC1=C(N)N(C2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2)c1sc2c(c1C(=O)OC)CCCCC2
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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 C28H27N3O5S MW 517.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O5S/c1-34-28(33)24-16-6-3-2-4-9-22(16)37-27(24)31-18-7-5-8-19(32)25(18)23(17(13-29)26(31)30)15-10-11-20-21(12-15)36-14-35-20/h10-12,23H,2-9,14,30H2,1H3InChIKey
ONIUFLUGVQYCQL-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCCC2)N3C4=C(C(C(=C3N)C#N)C5=CC6=C(C=C5)OCO6)C(=O)CCC4
InChI=1SC28H27N3O5Sc13428(33)24166324922(16)3727(24)311875819(32)25(18)23(17(1329)26(31)30)1510112021(1215)36143520h101223H291430H21H3
methyl2(2amino4(13benzodioxol5yl)3cyano5oxo4678tetrahydroquinolin1yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2(2amino4(13benzodioxol5yl)3cyano5oxo5678tetrahydroquinolin1(4H)yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD01465172
ZINC000001060812
ZINC000009761238
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