Vitas-M small molecule compound

3-methylbutyl 4-{[(2E)-3-(3-nitrophenyl)prop-2-enoyl]amino}benzoate

Catalog ID
STL332047
SMILES CC(CCOC(=O)c1ccc(cc1)NC(=O)/C=C/c1cccc(c1)[N+](=O)[O-])C

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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 C21H22N2O5 MW 382.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O5/c1-15(2)12-13-28-21(25)17-7-9-18(10-8-17)22-20(24)11-6-16-4-3-5-19(14-16)23(26)27/h3-11,14-15H,12-13H2,1-2H3,(H,22,24)/b11-6+
InChIKey
SNXOKKUAWLFRCK-IZZDOVSWSA-N
Synonyms
301682-29-1
(E)isopentyl4(3(3nitrophenyl)acrylamido)benzoate
301682291
3methylbutyl4(((2E)3(3nitrophenyl)prop2enoyl)amino)benzoate
3METHYLBUTYL4(((E)3(3NITROPHENYL)PROP2ENOYL)AMINO)BENZOATE
3METHYLBUTYL4((2E)3(3NITROPHENYL)PROP2ENOYLAMINO)BENZOATE
CC(C)CCOC(=O)C1=CC=C(C=C1)NC(=O)C=CC2=CC(=CC=C2)(N+)(=O)(O)
CC(CCOC(=O)c1ccc(cc1)NC(=O)C=Cc1cccc(c1)(N+)(=O)(O))C
InChI=1SC21H22N2O5c115(2)12132821(25)177918(10817)2220(24)1161643519(1416)23(26)27h3111415H1213H212H3(H2224)b116+
MFCD01910844
ZINC000000942140
ZINC00942140
ZINC942140

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Available files

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