Vitas-M small molecule compound
2-{[(1,1-dioxido-1,2-benzothiazol-3-yl)(4-methylphenyl)amino]methyl}phenyl 3,4,5-trimethoxybenzoate
Catalog ID
STL291106
SMILES COc1cc(cc(c1OC)OC)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 C31H28N2O7S MW 572.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N2O7S/c1-20-13-15-23(16-14-20)33(30-24-10-6-8-12-28(24)41(35,36)32-30)19-21-9-5-7-11-25(21)40-31(34)22-17-26(37-2)29(39-4)27(18-22)38-3/h5-18H,19H2,1-4H3InChIKey
GNLVRIBHPAWATQ-UHFFFAOYSA-NSynonyms
(2((N(11DIOXO12BENZOTHIAZOL3YL)4METHYLANILINO)METHYL)PHENYL)345TRIMETHOXYBENZOATE
2(((11dioxido12benzothiazol3yl)(4methylphenyl)amino)methyl)phenyl345trimethoxybenzoate
CC1=CC=C(C=C1)N(CC2=CC=CC=C2OC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C4=NS(=O)(=O)C5=CC=CC=C54
InChI=1SC31H28N2O7Sc120131523(161420)33(302410681228(24)41(3536)3230)19219571125(21)4031(34)221726(372)29(394)27(1822)383h518H19H214H3
MFCD10466667
ZINC000097971176
ZINC97971176
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