Vitas-M small molecule compound
N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
Catalog ID
STK735508
SMILES COc1cc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c(cc1OC)Cc1nccc2c1cc(OC)c(c2)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 C28H27N3O8S MW 565.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O8S/c1-35-24-10-16-7-8-29-21(19(16)13-26(24)37-3)9-17-11-25(36-2)27(38-4)14-20(17)31-40(33,34)18-5-6-23-22(12-18)30-28(32)15-39-23/h5-8,10-14,31H,9,15H2,1-4H3,(H,30,32)InChIKey
UXTPRMUQZDVMHR-UHFFFAOYSA-NSynonyms
COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NS(=O)(=O)C4=CC5=C(C=C4)OCC(=O)N5)OC)OC)OC
InChI=1SC28H27N3O8Sc135241016782921(19(16)1326(24)373)9171125(362)27(384)1420(17)3140(3334)18562322(1218)3028(32)153923h58101431H915H214H3(H3032)
MFCD04004864
N(2((67dimethoxyisoquinolin1yl)methyl)45dimethoxyphenyl)3oxo34dihydro2H14benzoxazine6sulfonamide
N(2((67dimethoxyisoquinolin1yl)methyl)45dimethoxyphenyl)3oxo34dihydro2Hbenzo(b)(14)oxazine6sulfonamide
N(2((67DIMETHOXYISOQUINOLIN1YL)METHYL)45DIMETHOXYPHENYL)3OXO4H14BENZOXAZINE6SULFONAMIDE
ZINC000098000315
ZINC98000315
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