Vitas-M small molecule compound

[2-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3-benzothiazol-6-yl](thiomorpholin-4-yl)methanone

Catalog ID
STK621495
SMILES O=C(c1ccc2c(c1)sc(n2)n1c(C)ccc1C)N1CCSCC1

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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 C18H19N3OS2 MW 357.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3OS2/c1-12-3-4-13(2)21(12)18-19-15-6-5-14(11-16(15)24-18)17(22)20-7-9-23-10-8-20/h3-6,11H,7-10H2,1-2H3
InChIKey
SPTHHWKLXVRLNR-UHFFFAOYSA-N
Synonyms
929832-81-5
(2(25dimethyl1Hpyrrol1yl)13benzothiazol6yl)(thiomorpholin4yl)methanone
(2(25dimethyl1Hpyrrol1yl)benzo(d)thiazol6yl)(thiomorpholino)methanone
(2(25dimethylpyrrol1yl)13benzothiazol6yl)thiomorpholin4ylmethanone
929832815
CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)N4CCSCC4)C
InChI=1SC18H19N3OS2c1123413(2)21(12)1819156514(1116(15)2418)17(22)20792310820h3611H710H212H3
MFCD09846326
ZINC000009575370
ZINC09575370
ZINC9575370

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Available files

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