Vitas-M small molecule compound
methyl 2-(2-amino-3-cyano-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK758507
SMILES N#CC1=C(N)N(C2=C(C1c1ccccc1)C(=O)CCC2)c1sc2c(c1C(=O)OC)CCCC2
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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 C26H25N3O3S MW 459.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O3S/c1-32-26(31)22-16-10-5-6-13-20(16)33-25(22)29-18-11-7-12-19(30)23(18)21(17(14-27)24(29)28)15-8-3-2-4-9-15/h2-4,8-9,21H,5-7,10-13,28H2,1H3InChIKey
PQSCDHLTIYWFCV-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCC2)N3C4=C(C(C(=C3N)C#N)C5=CC=CC=C5)C(=O)CCC4
InChI=1SC26H25N3O3Sc13226(31)221610561320(16)3325(22)29181171219(30)23(18)21(17(1427)24(29)28)158324915h248921H57101328H21H3
methyl2(2amino3cyano5oxo4phenyl4678tetrahydroquinolin1yl)4567tetrahydro1benzothiophene3carboxylate
methyl2(2amino3cyano5oxo4phenyl5678tetrahydroquinolin1(4H)yl)4567tetrahydro1benzothiophene3carboxylate
MFCD01465173
ZINC000001060814
ZINC000001060816
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