Vitas-M small molecule compound
1-[4-(1,1-dioxido-1,2-benzothiazol-3-yl)piperazin-1-yl]-3-methoxypropan-2-yl 4-methylbenzoate
Catalog ID
STL291000
SMILES COCC(OC(=O)c1ccc(cc1)C)CN1CCN(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 C23H27N3O5S MW 457.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O5S/c1-17-7-9-18(10-8-17)23(27)31-19(16-30-2)15-25-11-13-26(14-12-25)22-20-5-3-4-6-21(20)32(28,29)24-22/h3-10,19H,11-16H2,1-2H3InChIKey
BMTMUEKEJKTYBE-UHFFFAOYSA-NSynonyms
(1(4(11DIOXO12BENZOTHIAZOL3YL)PIPERAZIN1YL)3METHOXYPROPAN2YL)4METHYLBENZOATE
1(4(11dioxido12benzothiazol3yl)piperazin1yl)3methoxypropan2yl4methylbenzoate
2(4(11DIOXOBENZO(D)12THIAZOLIN3YL)PIPERAZINYL)1(METHOXYMETHYL)ETHYL4METHYLBENZOATE
CC1=CC=C(C=C1)C(=O)OC(CN2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43)COC
InChI=1SC23H27N3O5Sc1177918(10817)23(27)3119(16302)1525111326(141225)2220534621(20)32(2829)2422h31019H1116H212H3
MFCD02299609
ZINC000019593771
ZINC000019593773
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