Vitas-M small molecule compound

N-(2-{[2-(cyclopropylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methoxybenzamide

Catalog ID
STK759000
SMILES COc1ccccc1C(=O)Nc1ccc2c(c1)sc(n2)SCC(=O)NC1CC1

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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 C20H19N3O3S2 MW 413.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O3S2/c1-26-16-5-3-2-4-14(16)19(25)22-13-8-9-15-17(10-13)28-20(23-15)27-11-18(24)21-12-6-7-12/h2-5,8-10,12H,6-7,11H2,1H3,(H,21,24)(H,22,25)
InChIKey
IGKIPQAYOQDQFB-UHFFFAOYSA-N
Synonyms

COC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4CC4
InChI=1SC20H19N3O3S2c12616532414(16)19(25)2213891517(1013)2820(2315)271118(24)21126712h2581012H6711H21H3(H2124)(H2225)
MFCD01209013
N(2((2(cyclopropylamino)2oxoethyl)sulfanyl)13benzothiazol6yl)2methoxybenzamide
N(2(2(CYCLOPROPYLAMINO)2OXOETHYL)SULFANYL13BENZOTHIAZOL6YL)2METHOXYBENZAMIDE
ZINC000000715059
ZINC00715059
ZINC715059

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Available files

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