Vitas-M small molecule compound
4-nitro-2-[(Z)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl acetate
Catalog ID
STK537786
SMILES CC(=O)Oc1ccc(cc1/C=C/1\Sc2c(C1=O)cccc2)[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 C17H11NO5S MW 341.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11NO5S/c1-10(19)23-14-7-6-12(18(21)22)8-11(14)9-16-17(20)13-4-2-3-5-15(13)24-16/h2-9H,1H3/b16-9-InChIKey
JIURJIDKDBJSPL-SXGWCWSVSA-NSynonyms
312939-20-1(4NITRO2((Z)(3OXO1BENZOTHIOPHEN2YLIDENE)METHYL)PHENYL)ACETATE
(Z)4nitro2((3oxobenzo(b)thiophen2(3H)ylidene)methyl)phenylacetate
312939201
4nitro2((Z)(3oxo1benzothiophen2(3H)ylidene)methyl)phenylacetate
CC(=O)OC1=C(C=C(C=C1)(N+)(=O)(O))C=C2C(=O)C3=CC=CC=C3S2
CC(=O)Oc1ccc(cc1C=C1Sc2c(C1=O)cccc2)(N+)(=O)(O)
InChI=1SC17H11NO5Sc110(19)23147612(18(21)22)811(14)91617(20)13423515(13)2416h29H1H3b169
MFCD01954567
ZINC000033358641
ZINC33358641
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