Vitas-M small molecule compound
4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 3-nitrobenzoate
Catalog ID
STK869414
SMILES Cc1ccc(c(c1)/C=C/1\Sc2c(C1=O)cccc2)OC(=O)c1cccc(c1)[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 C23H15NO5S MW 417.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15NO5S/c1-14-9-10-19(29-23(26)15-5-4-6-17(12-15)24(27)28)16(11-14)13-21-22(25)18-7-2-3-8-20(18)30-21/h2-13H,1H3/b21-13-InChIKey
YDQPBWLGPMEJHA-BKUYFWCQSA-NSynonyms
373612-34-1(4METHYL2((Z)(3OXO1BENZOTHIOPHEN2YLIDENE)METHYL)PHENYL)3NITROBENZOATE
(Z)4methyl2((3oxobenzo(b)thiophen2(3H)ylidene)methyl)phenyl3nitrobenzoate
373612341
4methyl2((Z)(3oxo1benzothiophen2(3H)ylidene)methyl)phenyl3nitrobenzoate
CC1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)(N+)(=O)(O))C=C3C(=O)C4=CC=CC=C4S3
Cc1ccc(c(c1)C=C1Sc2c(C1=O)cccc2)OC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC23H15NO5Sc11491019(2923(26)1554617(1215)24(27)28)16(1114)132122(25)18723820(18)3021h213H1H3b2113
MFCD01948025
ZINC000013773762
ZINC13773762
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