Vitas-M small molecule compound
2-[4-(1,1-dioxido-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl 3,4-dimethoxybenzoate
Catalog ID
STL290894
SMILES COc1cc(ccc1OC)C(=O)OCCN1CCN(CC1)C1=NS(=O)(=O)c2c1cccc2
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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 C22H25N3O6S MW 459.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O6S/c1-29-18-8-7-16(15-19(18)30-2)22(26)31-14-13-24-9-11-25(12-10-24)21-17-5-3-4-6-20(17)32(27,28)23-21/h3-8,15H,9-14H2,1-2H3InChIKey
MGFLDCTXTVPBAH-UHFFFAOYSA-NSynonyms
2(4(11dioxido12benzothiazol3yl)piperazin1yl)ethyl34dimethoxybenzoate
2(4(11DIOXO12BENZOTHIAZOL3YL)PIPERAZIN1YL)ETHYL34DIMETHOXYBENZOATE
34DIMETHOXYBENZOICACID2(4(11DIOXO1H1LAMBDA6BENZO(D)ISOTHIAZOL3YL)PIPERAZIN1YL)ETHYLESTER
COC1=C(C=C(C=C1)C(=O)OCCN2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43)OC
InChI=1SC22H25N3O6Sc129188716(1519(18)302)22(26)3114132491125(121024)2117534620(17)32(2728)2321h3815H914H212H3
MFCD03043384
ZINC000019958015
ZINC19958015
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