Vitas-M small molecule compound

methyl N-{[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]carbonyl}-L-leucinate

Catalog ID
STK717697
SMILES COC(=O)[C@@H](NC(=O)C1CCCN(C1)S(=O)(=O)c1cccc2c1nsn2)CC(C)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 C19H26N4O5S2 MW 454.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H26N4O5S2/c1-12(2)10-15(19(25)28-3)20-18(24)13-6-5-9-23(11-13)30(26,27)16-8-4-7-14-17(16)22-29-21-14/h4,7-8,12-13,15H,5-6,9-11H2,1-3H3,(H,20,24)/t13?,15-/m0/s1
InChIKey
NHBQGYJSJYDTNO-WUJWULDRSA-N
Synonyms
1212482-15-9
(2S)methyl2(1(benzo(c)(125)thiadiazol4ylsulfonyl)piperidine3carboxamido)4methylpentanoate
1212482159
CC(C)CC(C(=O)OC)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32
COC(=O)(C@@H)(NC(=O)C1CCCN(C1)S(=O)(=O)c1cccc2c1nsn2)CC(C)C
InChI=1SC19H26N4O5S2c112(2)1015(19(25)283)2018(24)1365923(1113)30(2627)168471417(16)22292114h478121315H56911H213H3(H2024)t13?15m0s1
methyl(2S)2((1(213benzothiadiazol4ylsulfonyl)piperidine3carbonyl)amino)4methylpentanoate
methylN((1(213benzothiadiazol4ylsulfonyl)piperidin3yl)carbonyl)Lleucinate
MFCD13371584
ZINC000012389191
ZINC000012389192

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.