Vitas-M small molecule compound
(2Z)-2-cyano-N-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-3-hydroxy-3-(4-nitrophenyl)prop-2-enamide (non-preferred name)
Catalog ID
STK332244
SMILES N#C/C(=C(\c1ccc(cc1)[N+](=O)[O-])/O)/C(=O)NN1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3
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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 C28H18N4O6 MW 506.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H18N4O6/c29-13-20(25(33)14-9-11-15(12-10-14)32(37)38)26(34)30-31-27(35)23-21-16-5-1-2-6-17(16)22(24(23)28(31)36)19-8-4-3-7-18(19)21/h1-12,21-24,33H,(H,30,34)/b25-20-InChIKey
GPBDFTBKFDEOPP-QQTULTPQSA-NSynonyms
(2Z)2cyanoN(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)3hydroxy3(4nitrophenyl)prop2enamide(nonpreferredname)
C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)NC(=O)C(=C(C6=CC=C(C=C6)(N+)(=O)(O))O)C#N
InChI=1SC28H18N4O6c291320(25(33)1491115(121014)32(37)38)26(34)303127(35)232116512617(16)22(24(23)28(31)36)19843718(19)21h112212433H(H3034)b2520
MFCD09962711
N#CC(=C(c1ccc(cc1)(N+)(=O)(O))O)C(=O)NN1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3
ZINC000102042182
ZINC000102576697
Check stock
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