Vitas-M small molecule compound

methyl 1-{[2-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3-benzothiazol-6-yl]carbonyl}piperidine-4-carboxylate

Catalog ID
STK624881
SMILES COC(=O)C1CCN(CC1)C(=O)c1ccc2c(c1)sc(n2)n1c(C)ccc1C

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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 C21H23N3O3S MW 397.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O3S/c1-13-4-5-14(2)24(13)21-22-17-7-6-16(12-18(17)28-21)19(25)23-10-8-15(9-11-23)20(26)27-3/h4-7,12,15H,8-11H2,1-3H3
InChIKey
BYFBWVLAHTVXFS-UHFFFAOYSA-N
Synonyms
929961-65-9
CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)N4CCC(CC4)C(=O)OC)C
methyl1((2(25dimethyl1Hpyrrol1yl)13benzothiazol6yl)carbonyl)piperidine4carboxylate
methyl1(2(25dimethyl1Hpyrrol1yl)benzo(d)thiazole6carbonyl)piperidine4carboxylate
methyl1(2(25dimethylpyrrol1yl)13benzothiazole6carbonyl)piperidine4carboxylate
Registry IDs
MFCD09790874
ZINC000009054094
ZINC09054094
ZINC9054094

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Available files

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