Vitas-M small molecule compound
2-[(1,1-dioxido-1,2-benzothiazol-3-yl)(3-methylphenyl)amino]ethyl 3,4,5-trimethoxybenzoate
Catalog ID
STL290972
SMILES COc1cc(cc(c1OC)OC)C(=O)OCCN(C1=NS(=O)(=O)c2c1cccc2)c1cccc(c1)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 C26H26N2O7S MW 510.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O7S/c1-17-8-7-9-19(14-17)28(25-20-10-5-6-11-23(20)36(30,31)27-25)12-13-35-26(29)18-15-21(32-2)24(34-4)22(16-18)33-3/h5-11,14-16H,12-13H2,1-4H3InChIKey
BWZJTHIHEGMPIH-UHFFFAOYSA-NSynonyms
2((11dioxido12benzothiazol3yl)(3methylphenyl)amino)ethyl345trimethoxybenzoate
2(N(11DIOXO12BENZOTHIAZOL3YL)3METHYLANILINO)ETHYL345TRIMETHOXYBENZOATE
CC1=CC(=CC=C1)N(CCOC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C3=NS(=O)(=O)C4=CC=CC=C43
InChI=1SC26H26N2O7Sc11787919(1417)28(252010561123(20)36(3031)2725)12133526(29)181521(322)24(344)22(1618)333h5111416H1213H214H3
MFCD01579609
ZINC000001461786
ZINC1461786
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