Vitas-M small molecule compound
4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 4-nitrobenzoate
Catalog ID
STK869340
SMILES Cc1ccc(c(c1)/C=C/1\Sc2c(C1=O)cccc2)OC(=O)c1ccc(cc1)[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/c1-14-6-11-19(29-23(26)15-7-9-17(10-8-15)24(27)28)16(12-14)13-21-22(25)18-4-2-3-5-20(18)30-21/h2-13H,1H3/b21-13-InChIKey
AMDCMNSDBWMGER-BKUYFWCQSA-NSynonyms
374084-03-4(4METHYL2((Z)(3OXO1BENZOTHIOPHEN2YLIDENE)METHYL)PHENYL)4NITROBENZOATE
(Z)4methyl2((3oxobenzo(b)thiophen2(3H)ylidene)methyl)phenyl4nitrobenzoate
374084034
4METHYL2((3OXOBENZO(B)THIOPHEN2YLIDENE)METHYL)PHENYL4NITROBENZOATE
4methyl2((Z)(3oxo1benzothiophen2(3H)ylidene)methyl)phenyl4nitrobenzoate
CC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)(N+)(=O)(O))C=C3C(=O)C4=CC=CC=C4S3
Cc1ccc(c(c1)C=C1Sc2c(C1=O)cccc2)OC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC23H15NO5Sc11461119(2923(26)157917(10815)24(27)28)16(1214)132122(25)18423520(18)3021h213H1H3b2113
MFCD01949857
ZINC000013774029
ZINC13774029
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