Vitas-M small molecule compound
4-(benzylsulfanyl)-3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-1H-indazole
Catalog ID
STK767906
SMILES [O-][N+](=O)c1cc(SCc2ccccc2)c2c(c1)n(nc2C1OCCO1)c1ccccc1
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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 C23H19N3O4S MW 433.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O4S/c27-26(28)18-13-19-21(20(14-18)31-15-16-7-3-1-4-8-16)22(23-29-11-12-30-23)24-25(19)17-9-5-2-6-10-17/h1-10,13-14,23H,11-12,15H2InChIKey
BHTFYGXYQHHRQE-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc(SCc2ccccc2)c2c(c1)n(nc2C1OCCO1)c1ccccc1
4(benzylsulfanyl)3(13dioxolan2yl)6nitro1phenyl1Hindazole
4BENZYLSULFANYL3(13DIOXOLAN2YL)6NITRO1PHENYLINDAZOLE
C1COC(O1)C2=NN(C3=CC(=CC(=C32)SCC4=CC=CC=C4)(N+)(=O)(O))C5=CC=CC=C5
InChI=1SC23H19N3O4Sc2726(28)18131921(20(1418)3115167314816)22(232911123023)2425(19)1795261017h110131423H111215H2
MFCD03134010
ZINC000001070673
ZINC01070673
ZINC1070673
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