Vitas-M small molecule compound

4-chloro-N-{2-[(furan-2-ylmethyl)sulfanyl]ethyl}-3-nitrobenzamide

Catalog ID
STL197824
SMILES O=C(c1ccc(c(c1)[N+](=O)[O-])Cl)NCCSCc1ccco1

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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 C14H13ClN2O4S MW 340.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13ClN2O4S/c15-12-4-3-10(8-13(12)17(19)20)14(18)16-5-7-22-9-11-2-1-6-21-11/h1-4,6,8H,5,7,9H2,(H,16,18)
InChIKey
IWBKYKTYNCURFG-UHFFFAOYSA-N
Synonyms

4chloroN(2((furan2ylmethyl)sulfanyl)ethyl)3nitrobenzamide
4CHLORON(2(FURAN2YLMETHYLSULFANYL)ETHYL)3NITROBENZAMIDE
C1=COC(=C1)CSCCNC(=O)C2=CC(=C(C=C2)Cl)(N+)(=O)(O)
InChI=1SC14H13ClN2O4Sc15124310(813(12)17(19)20)14(18)1657229112162111h1468H579H2(H1618)
MFCD03231984
O=C(c1ccc(c(c1)(N+)(=O)(O))Cl)NCCSCc1ccco1
ZINC000002960411
ZINC02960411
ZINC2960411

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Available files

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