Vitas-M small molecule compound

2-{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-nitro-1H-benzimidazole

Catalog ID
STK361634
SMILES Clc1cc2OCOc2cc1CSc1nc2c([nH]1)ccc(c2)[N+](=O)[O-]

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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 C15H10ClN3O4S MW 363.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H10ClN3O4S/c16-10-5-14-13(22-7-23-14)3-8(10)6-24-15-17-11-2-1-9(19(20)21)4-12(11)18-15/h1-5H,6-7H2,(H,17,18)
InChIKey
KPEFDAMYCYUQLC-UHFFFAOYSA-N
Synonyms

2(((6chloro13benzodioxol5yl)methyl)sulfanyl)5nitro1Hbenzimidazole
2((6CHLORO(2HBENZO(D)13DIOXOLAN5YL))METHYLTHIO)5NITROBENZIMIDAZOLE
2((6CHLORO13BENZODIOXOL5YL)METHYLSULFANYL)6NITRO1HBENZIMIDAZOLE
C1OC2=C(O1)C=C(C(=C2)CSC3=NC4=C(N3)C=C(C=C4)(N+)(=O)(O))Cl
Clc1cc2OCOc2cc1CSc1nc2c((nH)1)ccc(c2)(N+)(=O)(O)
InChI=1SC15H10ClN3O4Sc161051413(2272314)38(10)624151711219(19(20)21)412(11)1815h15H67H2(H1718)
MFCD06250230
ZINC000016431421
ZINC16431421

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Available files

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