Vitas-M small molecule compound

butyl 2-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-1H-benzimidazole-1-carboxylate

Catalog ID
STK699820
SMILES CCCCOC(=O)n1c(SCC(=O)N(CC)CC)nc2c1cccc2

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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 C18H25N3O3S MW 363.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H25N3O3S/c1-4-7-12-24-18(23)21-15-11-9-8-10-14(15)19-17(21)25-13-16(22)20(5-2)6-3/h8-11H,4-7,12-13H2,1-3H3
InChIKey
LUJSYDFUNNSSOM-UHFFFAOYSA-N
Synonyms

BUTYL2((2(DIETHYLAMINO)2OXOETHYL)SULFANYL)1HBENZIMIDAZOLE1CARBOXYLATE
BUTYL2(2(DIETHYLAMINO)2OXOETHYL)SULFANYLBENZIMIDAZOLE1CARBOXYLATE
CCCCOC(=O)N1C2=CC=CC=C2N=C1SCC(=O)N(CC)CC
InChI=1SC18H25N3O3Sc147122418(23)211511981014(15)1917(21)251316(22)20(52)63h811H471213H213H3
MFCD00824522
ZINC000003117235
ZINC03117235
ZINC3117235

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Available files

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