Vitas-M small molecule compound

methyl 2-amino-4-(3,4-dimethoxyphenyl)-5-oxo-1-(4-sulfamoylphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK756880
SMILES COC(=O)C1=C(N)N(c2ccc(cc2)S(=O)(=O)N)C2=C(C1c1ccc(c(c1)OC)OC)C(=O)CCC2

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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 C25H27N3O7S MW 513.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O7S/c1-33-19-12-7-14(13-20(19)34-2)21-22-17(5-4-6-18(22)29)28(24(26)23(21)25(30)35-3)15-8-10-16(11-9-15)36(27,31)32/h7-13,21H,4-6,26H2,1-3H3,(H2,27,31,32)
InChIKey
SSLPRHWQVPRMGA-UHFFFAOYSA-N
Synonyms

COC1=C(C=C(C=C1)C2C3=C(CCCC3=O)N(C(=C2C(=O)OC)N)C4=CC=C(C=C4)S(=O)(=O)N)OC
InChI=1SC25H27N3O7Sc1331912714(1320(19)342)212217(54618(22)29)28(24(26)23(21)25(30)353)1581016(11915)36(2731)32h71321H4626H213H3(H2273132)
methyl2amino4(34dimethoxyphenyl)5oxo1(4sulfamoylphenyl)145678hexahydroquinoline3carboxylate
methyl2amino4(34dimethoxyphenyl)5oxo1(4sulfamoylphenyl)4678tetrahydroquinoline3carboxylate
MFCD01305790
ZINC000002573760
ZINC000009761321

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Available files

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