Vitas-M small molecule compound

2-{4-[(2-nitrophenyl)sulfonyl]piperazin-1-yl}-1,3-benzoxazole

Catalog ID
STK774329
SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)N1CCN(CC1)c1nc2c(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 C17H16N4O5S MW 388.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4O5S/c22-21(23)14-6-2-4-8-16(14)27(24,25)20-11-9-19(10-12-20)17-18-13-5-1-3-7-15(13)26-17/h1-8H,9-12H2
InChIKey
ZKDFDAVDWZNNEG-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1ccccc1S(=O)(=O)N1CCN(CC1)c1nc2c(o1)cccc2
1((4BENZOXAZOL2YLPIPERAZINYL)SULFONYL)2NITROBENZENE
2(4((2nitrophenyl)sulfonyl)piperazin1yl)13benzoxazole
2(4(2NITROPHENYL)SULFONYLPIPERAZIN1YL)13BENZOXAZOLE
C1CN(CCN1C2=NC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CC=C4(N+)(=O)(O)
InChI=1SC17H16N4O5Sc2221(23)14624816(14)27(2425)2011919(101220)171813513715(13)2617h18H912H2
MFCD04060583
ZINC000001444498
ZINC01444498
ZINC1444498

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Available files

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