Vitas-M small molecule compound

2-(1H-benzimidazol-2-ylsulfanyl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]acetamide

Catalog ID
STL430258
SMILES O=C(NC(c1ccc2c(c1)OCCCO2)C(C)C)CSc1nc2c([nH]1)cccc2

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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 C22H25N3O3S MW 411.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O3S/c1-14(2)21(15-8-9-18-19(12-15)28-11-5-10-27-18)25-20(26)13-29-22-23-16-6-3-4-7-17(16)24-22/h3-4,6-9,12,14,21H,5,10-11,13H2,1-2H3,(H,23,24)(H,25,26)
InChIKey
DDGGXTSDSRHSCO-UHFFFAOYSA-N
Synonyms
924431-53-8
2(1Hbenzimidazol2ylsulfanyl)N(1(34dihydro2H15benzodioxepin7yl)2methylpropyl)acetamide
924431538
CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC(=O)CSC3=NC4=CC=CC=C4N3
InChI=1SC22H25N3O3Sc114(2)21(15891819(1215)28115102718)2520(26)1329222316634717(16)2422h3469121421H5101113H212H3(H2324)(H2526)
MFCD08498757
O=C(NC(c1ccc2c(c1)OCCCO2)C(C)C)CSc1nc2c((nH)1)cccc2
ZINC000007883622
ZINC000007883625

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Available files

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