Vitas-M small molecule compound
dimethyl N-{[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonyl}-L-aspartate
Catalog ID
STK653416
SMILES COC(=O)C[C@@H](C(=O)OC)NC(=O)N1CCCC1c1nc2c(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 C18H21N3O5S MW 391.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O5S/c1-25-15(22)10-12(17(23)26-2)20-18(24)21-9-5-7-13(21)16-19-11-6-3-4-8-14(11)27-16/h3-4,6,8,12-13H,5,7,9-10H2,1-2H3,(H,20,24)/t12-,13?/m0/s1InChIKey
RDIQGLOFSYXFLP-UEWDXFNNSA-NSynonyms
1212488-03-3(2S)dimethyl2(2(benzo(d)thiazol2yl)pyrrolidine1carboxamido)succinate
1212488033
COC(=O)C(C@@H)(C(=O)OC)NC(=O)N1CCCC1c1nc2c(s1)cccc2
COC(=O)CC(C(=O)OC)NC(=O)N1CCCC1C2=NC3=CC=CC=C3S2
dimethyl(2S)2((2(13benzothiazol2yl)pyrrolidine1carbonyl)amino)butanedioate
dimethylN((2(13benzothiazol2yl)pyrrolidin1yl)carbonyl)Laspartate
InChI=1SC18H21N3O5Sc12515(22)1012(17(23)262)2018(24)2195713(21)161911634814(11)2716h34681213H57910H212H3(H2024)t1213?m0s1
MFCD18166690
ZINC000032090434
ZINC000032090437
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