Vitas-M small molecule compound

2-(1,3-benzoxazol-2-ylsulfanyl)-N-methyl-N-{[5-(4-nitrophenyl)furan-2-yl]methyl}acetamide

Catalog ID
STK036507
SMILES O=C(N(Cc1ccc(o1)c1ccc(cc1)[N+](=O)[O-])C)CSc1nc2c(o1)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 C21H17N3O5S MW 423.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O5S/c1-23(20(25)13-30-21-22-17-4-2-3-5-19(17)29-21)12-16-10-11-18(28-16)14-6-8-15(9-7-14)24(26)27/h2-11H,12-13H2,1H3
InChIKey
PBOFZTGBURRPSA-UHFFFAOYSA-N
Synonyms
380562-64-1
2(13BENZOXAZOL2YLSULFANYL)NMETHYLN((5(4NITROPHENYL)FURAN2YL)METHYL)ACETAMIDE
380562641
CN(CC1=CC=C(O1)C2=CC=C(C=C2)(N+)(=O)(O))C(=O)CSC3=NC4=CC=CC=C4O3
InChI=1SC21H17N3O5Sc123(20(25)1330212217423519(17)2921)1216101118(2816)146815(9714)24(26)27h211H1213H21H3
MFCD03477558
O=C(N(Cc1ccc(o1)c1ccc(cc1)(N+)(=O)(O))C)CSc1nc2c(o1)cccc2
STK036507
ZINC000003235079
ZINC03235079
ZINC3235079

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Available files

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