Vitas-M small molecule compound

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

Catalog ID
STK757534
SMILES COc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1ccc(cc1)S(=O)(=O)N)C(=O)OC

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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 C26H29N3O6S MW 511.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O6S/c1-26(2)13-19-22(20(30)14-26)21(15-5-9-17(34-3)10-6-15)23(25(31)35-4)24(27)29(19)16-7-11-18(12-8-16)36(28,32)33/h5-12,21H,13-14,27H2,1-4H3,(H2,28,32,33)
InChIKey
OCSPBCDSEDMPTF-UHFFFAOYSA-N
Synonyms

CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)S(=O)(=O)N)N)C(=O)OC)C4=CC=C(C=C4)OC)C(=O)C1)C
InChI=1SC26H29N3O6Sc126(2)131922(20(30)1426)21(155917(343)10615)23(25(31)354)24(27)29(19)1671118(12816)36(2832)33h51221H131427H214H3(H2283233)
methyl2amino4(4methoxyphenyl)77dimethyl5oxo1(4sulfamoylphenyl)145678hexahydroquinoline3carboxylate
METHYL2AMINO4(4METHOXYPHENYL)77DIMETHYL5OXO1(4SULFAMOYLPHENYL)68DIHYDRO4HQUINOLINE3CARBOXYLATE
MFCD01306077
ZINC000002188658
ZINC000002188659

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Available files

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