Vitas-M small molecule compound
4-{[(1,1-dioxido-1,2-benzothiazol-3-yl)(4-methylphenyl)amino]methyl}-2-methoxyphenyl 2-fluorobenzoate
Catalog ID
STK130332
SMILES COc1cc(ccc1OC(=O)c1ccccc1F)CN(C1=NS(=O)(=O)c2c1cccc2)c1ccc(cc1)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 C29H23FN2O5S MW 530.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23FN2O5S/c1-19-11-14-21(15-12-19)32(28-23-8-4-6-10-27(23)38(34,35)31-28)18-20-13-16-25(26(17-20)36-2)37-29(33)22-7-3-5-9-24(22)30/h3-17H,18H2,1-2H3InChIKey
ZYGUWFKOLWDVAI-UHFFFAOYSA-NSynonyms
(4((N(11DIOXO12BENZOTHIAZOL3YL)4METHYLANILINO)METHYL)2METHOXYPHENYL)2FLUOROBENZOATE
4(((11DIOXIDO12BENZOTHIAZOL3YL)(4METHYLPHENYL)AMINO)METHYL)2METHOXYPHENYL2FLUOROBENZOATE
CC1=CC=C(C=C1)N(CC2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3F)OC)C4=NS(=O)(=O)C5=CC=CC=C54
InChI=1SC29H23FN2O5Sc119111421(151219)32(28238461027(23)38(3435)3128)1820131625(26(1720)362)3729(33)22735924(22)30h317H18H212H3
MFCD04083663
ZINC000097945520
ZINC97945520
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