Vitas-M small molecule compound
2-[(1,1-dioxido-1,2-benzothiazol-3-yl)(4-methylphenyl)amino]ethyl 4-(piperidin-1-ylsulfonyl)benzoate
Catalog ID
STK181106
SMILES Cc1ccc(cc1)N(C1=NS(=O)(=O)c2c1cccc2)CCOC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
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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 C28H29N3O6S2 MW 567.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O6S2/c1-21-9-13-23(14-10-21)31(27-25-7-3-4-8-26(25)38(33,34)29-27)19-20-37-28(32)22-11-15-24(16-12-22)39(35,36)30-17-5-2-6-18-30/h3-4,7-16H,2,5-6,17-20H2,1H3InChIKey
NZSMBGQVQITNBE-UHFFFAOYSA-NSynonyms
2((11DIOXIDO12BENZISOTHIAZOL3YL)4METHYLANILINO)ETHYL4(1PIPERIDINYLSULFONYL)BENZOATE
2((11DIOXIDO12BENZOTHIAZOL3YL)(4METHYLPHENYL)AMINO)ETHYL4(PIPERIDIN1YLSULFONYL)BENZOATE
2(N(11DIOXO12BENZOTHIAZOL3YL)4METHYLANILINO)ETHYL4PIPERIDIN1YLSULFONYLBENZOATE
CC1=CC=C(C=C1)N(CCOC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C4=NS(=O)(=O)C5=CC=CC=C54
InChI=1SC28H29N3O6S2c12191323(141021)31(2725734826(25)38(3334)2927)19203728(32)22111524(161222)39(3536)30175261830h34716H2561720H21H3
MFCD03864322
ZINC000000681990
ZINC00681990
ZINC681990
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