Vitas-M small molecule compound
2-(benzylsulfonyl)-4,6-dinitrobenzonitrile
Catalog ID
STK760871
SMILES N#Cc1c(cc(cc1S(=O)(=O)Cc1ccccc1)[N+](=O)[O-])[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 C14H9N3O6S MW 347.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H9N3O6S/c15-8-12-13(17(20)21)6-11(16(18)19)7-14(12)24(22,23)9-10-4-2-1-3-5-10/h1-7H,9H2InChIKey
KBFRYZAVSLGLKQ-UHFFFAOYSA-NSynonyms
2(benzylsulfonyl)46dinitrobenzonitrile
24DINITRO6(PHENYLMETHYL)SULFONYLBENZENECARBONITRILE
24DINITRO6(PHENYLMETHYL)SULFONYLBENZONITRILE
2BENZYLSULFONYL46DINITROBENZONITRILE
46DINITRO2(BENZYLSULFONYL)BENZENECARBONITRILE
C1=CC=C(C=C1)CS(=O)(=O)C2=CC(=CC(=C2C#N)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC14H9N3O6Sc1581213(17(20)21)611(16(18)19)714(12)24(2223)9104213510h17H9H2
MFCD01819895
N#Cc1c(cc(cc1S(=O)(=O)Cc1ccccc1)(N+)(=O)(O))(N+)(=O)(O)
ZINC000003669523
ZINC03669523
ZINC3669523
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