Vitas-M small molecule compound
3-[(3,4-dimethylphenyl)sulfonyl]-6-nitro-2H-chromen-2-one
Catalog ID
STL167844
SMILES O=c1oc2ccc(cc2cc1S(=O)(=O)c1ccc(c(c1)C)C)[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 C17H13NO6S MW 359.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13NO6S/c1-10-3-5-14(7-11(10)2)25(22,23)16-9-12-8-13(18(20)21)4-6-15(12)24-17(16)19/h3-9H,1-2H3InChIKey
AOMGWEQHZGBIFL-UHFFFAOYSA-NSynonyms
866013-19-63((34dimethylphenyl)sulfonyl)6nitro2Hchromen2one
3(34DIMETHYLPHENYL)SULFONYL6NITROCHROMEN2ONE
866013196
CC1=C(C=C(C=C1)S(=O)(=O)C2=CC3=C(C=CC(=C3)(N+)(=O)(O))OC2=O)C
InChI=1SC17H13NO6Sc1103514(711(10)2)25(2223)16912813(18(20)21)4615(12)2417(16)19h39H12H3
MFCD04445066
O=c1oc2ccc(cc2cc1S(=O)(=O)c1ccc(c(c1)C)C)(N+)(=O)(O)
ZINC000002499537
ZINC02499537
ZINC2499537
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