Vitas-M small molecule compound
methyl 2-amino-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1-(4-sulfamoylphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK758176
SMILES COC(=O)C1=C(N)N(c2ccc(cc2)S(=O)(=O)N)C2=C(C1c1ccc(c(c1)OC)OC)C(=O)CC(C2)(C)C
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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 C27H31N3O7S MW 541.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O7S/c1-27(2)13-18-23(19(31)14-27)22(15-6-11-20(35-3)21(12-15)36-4)24(26(32)37-5)25(28)30(18)16-7-9-17(10-8-16)38(29,33)34/h6-12,22H,13-14,28H2,1-5H3,(H2,29,33,34)InChIKey
WMWKKBLPMFEYCV-UHFFFAOYSA-NSynonyms
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)OC)C(=O)C1)C
InChI=1SC27H31N3O7Sc127(2)131823(19(31)1427)22(1561120(353)21(1215)364)24(26(32)375)25(28)30(18)167917(10816)38(2933)34h61222H131428H215H3(H2293334)
methyl2amino4(34dimethoxyphenyl)77dimethyl5oxo1(4sulfamoylphenyl)145678hexahydroquinoline3carboxylate
METHYL2AMINO4(34DIMETHOXYPHENYL)77DIMETHYL5OXO1(4SULFAMOYLPHENYL)68DIHYDRO4HQUINOLINE3CARBOXYLATE
MFCD01414393
ZINC000002379845
ZINC000003666321
ZINC02379845
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