Vitas-M small molecule compound
2-{[(1,1-dioxido-1,2-benzothiazol-3-yl)(4-methylphenyl)amino]methyl}phenyl 3-methoxybenzoate
Catalog ID
STK132235
SMILES COc1cccc(c1)C(=O)Oc1ccccc1CN(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 C29H24N2O5S MW 512.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O5S/c1-20-14-16-23(17-15-20)31(28-25-11-4-6-13-27(25)37(33,34)30-28)19-22-8-3-5-12-26(22)36-29(32)21-9-7-10-24(18-21)35-2/h3-18H,19H2,1-2H3InChIKey
GEOZIYYYVINXFW-UHFFFAOYSA-NSynonyms
(2((N(11DIOXO12BENZOTHIAZOL3YL)4METHYLANILINO)METHYL)PHENYL)3METHOXYBENZOATE
2(((11DIOXIDO12BENZOTHIAZOL3YL)(4METHYLPHENYL)AMINO)METHYL)PHENYL3METHOXYBENZOATE
CC1=CC=C(C=C1)N(CC2=CC=CC=C2OC(=O)C3=CC(=CC=C3)OC)C4=NS(=O)(=O)C5=CC=CC=C54
InChI=1SC29H24N2O5Sc120141623(171520)31(282511461327(25)37(3334)3028)19228351226(22)3629(32)21971024(1821)352h318H19H212H3
MFCD04083593
ZINC000009601774
ZINC09601774
ZINC9601774
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