Vitas-M small molecule compound

N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

Catalog ID
STK640796
SMILES COc1cccc(c1)N1CC(CC1=O)C(=O)/N=c\1/sc2c([nH]1)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 C19H17N3O3S MW 367.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O3S/c1-25-14-6-4-5-13(10-14)22-11-12(9-17(22)23)18(24)21-19-20-15-7-2-3-8-16(15)26-19/h2-8,10,12H,9,11H2,1H3,(H,20,21,24)
InChIKey
QNLHEXMFCHAQKD-UHFFFAOYSA-N
Synonyms
1009256-61-4
1009256614
COC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NC3=NC4=CC=CC=C4S3
COc1cccc(c1)N1CC(CC1=O)C(=O)N=c1sc2c((nH)1)cccc2
InChI=1SC19H17N3O3Sc1251464513(1014)221112(917(22)23)18(24)21192015723816(15)2619h281012H911H21H3(H202124)
MFCD18162458
N((2E)13benzothiazol2(3H)ylidene)1(3methoxyphenyl)5oxopyrrolidine3carboxamide
ZINC000008247039
ZINC000008247044

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Available files

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