Vitas-M small molecule compound

dimethyl N-{[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl}-L-glutamate

Catalog ID
STK647681
SMILES COC(=O)CC[C@@H](C(=O)OC)NC(=O)N1CCCC(C1)c1nc2c(s1)cccc2

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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 C20H25N3O5S MW 419.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O5S/c1-27-17(24)10-9-15(19(25)28-2)22-20(26)23-11-5-6-13(12-23)18-21-14-7-3-4-8-16(14)29-18/h3-4,7-8,13,15H,5-6,9-12H2,1-2H3,(H,22,26)/t13?,15-/m0/s1
InChIKey
CNPJTAMZJKJERF-WUJWULDRSA-N
Synonyms
1212475-84-7
(2S)dimethyl2(3(benzo(d)thiazol2yl)piperidine1carboxamido)pentanedioate
1212475847
COC(=O)CC(C@@H)(C(=O)OC)NC(=O)N1CCCC(C1)c1nc2c(s1)cccc2
COC(=O)CCC(C(=O)OC)NC(=O)N1CCCC(C1)C2=NC3=CC=CC=C3S2
dimethyl(2S)2((3(13benzothiazol2yl)piperidine1carbonyl)amino)pentanedioate
dimethylN((3(13benzothiazol2yl)piperidin1yl)carbonyl)Lglutamate
InChI=1SC20H25N3O5Sc12717(24)10915(19(25)282)2220(26)23115613(1223)182114734816(14)2918h34781315H56912H212H3(H2226)t13?15m0s1
MFCD18164637
ZINC000032089496
ZINC000032089499

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Available files

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