Vitas-M small molecule compound
1-[(1,1-dioxido-1,2-benzothiazol-3-yl)(methyl)amino]-3-(4-methoxyphenoxy)propan-2-yl 4-methylbenzoate
Catalog ID
STL290964
SMILES COc1ccc(cc1)OCC(OC(=O)c1ccc(cc1)C)CN(C1=NS(=O)(=O)c2c1cccc2)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 C26H26N2O6S MW 494.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O6S/c1-18-8-10-19(11-9-18)26(29)34-22(17-33-21-14-12-20(32-3)13-15-21)16-28(2)25-23-6-4-5-7-24(23)35(30,31)27-25/h4-15,22H,16-17H2,1-3H3InChIKey
JOCCKXPMBJAPET-UHFFFAOYSA-NSynonyms
(1((11DIOXO12BENZOTHIAZOL3YL)METHYLAMINO)3(4METHOXYPHENOXY)PROPAN2YL)4METHYLBENZOATE
1((11dioxido12benzothiazol3yl)(methyl)amino)3(4methoxyphenoxy)propan2yl4methylbenzoate
2((11DIOXIDO12BENZISOTHIAZOL3YL)(METHYL)AMINO)1((4METHOXYPHENOXY)METHYL)ETHYL4METHYLBENZOATE
CC1=CC=C(C=C1)C(=O)OC(CN(C)C2=NS(=O)(=O)C3=CC=CC=C32)COC4=CC=C(C=C4)OC
InChI=1SC26H26N2O6Sc11881019(11918)26(29)3422(173321141220(323)131521)1628(2)2523645724(23)35(3031)2725h41522H1617H213H3
MFCD01460733
ZINC000000711538
ZINC000008443792
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