Vitas-M small molecule compound

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

Catalog ID
STK755231
SMILES O=C(CSc1nc2c(s1)cc(cc2)NC(=O)c1ccccc1C)NCc1ccccc1

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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 C24H21N3O2S2 MW 447.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O2S2/c1-16-7-5-6-10-19(16)23(29)26-18-11-12-20-21(13-18)31-24(27-20)30-15-22(28)25-14-17-8-3-2-4-9-17/h2-13H,14-15H2,1H3,(H,25,28)(H,26,29)
InChIKey
SIUUYCCJGSHQET-UHFFFAOYSA-N
Synonyms

CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NCC4=CC=CC=C4
InChI=1SC24H21N3O2S2c1167561019(16)23(29)261811122021(1318)3124(2720)301522(28)2514178324917h213H1415H21H3(H2528)(H2629)
MFCD00762016
N(2((2(benzylamino)2oxoethyl)sulfanyl)13benzothiazol6yl)2methylbenzamide
N(2(2(BENZYLAMINO)2OXOETHYL)SULFANYL13BENZOTHIAZOL6YL)2METHYLBENZAMIDE
ZINC000000705350
ZINC00705350
ZINC705350

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Available files

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