Vitas-M small molecule compound

4-[(4-chlorobenzyl)sulfanyl]-3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzoxazole

Catalog ID
STK767036
SMILES Clc1ccc(cc1)CSc1cc(cc2c1c(no2)C1OCCO1)[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 C17H13ClN2O5S MW 392.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClN2O5S/c18-11-3-1-10(2-4-11)9-26-14-8-12(20(21)22)7-13-15(14)16(19-25-13)17-23-5-6-24-17/h1-4,7-8,17H,5-6,9H2
InChIKey
VGEPFPAAQXLWJI-UHFFFAOYSA-N
Synonyms

4((4chlorobenzyl)sulfanyl)3(13dioxolan2yl)6nitro12benzoxazole
4((4CHLOROPHENYL)METHYLSULFANYL)3(13DIOXOLAN2YL)6NITRO12BENZOXAZOLE
4(4CHLOROBENZYLSULFANYL)3(13)DIOXOLAN2YL6NITROBENZO(D)ISOXAZOLE
4CHLOROBENZYL3(13DIOXOLAN2YL)6NITRO12BENZISOXAZOL4YLSULFIDE
C1COC(O1)C2=NOC3=C2C(=CC(=C3)(N+)(=O)(O))SCC4=CC=C(C=C4)Cl
Clc1ccc(cc1)CSc1cc(cc2c1c(no2)C1OCCO1)(N+)(=O)(O)
InChI=1SC17H13ClN2O5Sc18113110(2411)92614812(20(21)22)71315(14)16(192513)1723562417h147817H569H2
MFCD03036556
ZINC000001069819
ZINC01069819
ZINC1069819

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Available files

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