Vitas-M small molecule compound
(2E)-4-[5'-(3-nitrophenyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrazol]-2'(4'H)-yl]-4-oxobut-2-enoic acid
Catalog ID
STK606990
SMILES OC(=O)/C=C/C(=O)N1N=C(CC21C(=O)Nc1c2cccc1)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 C20H14N4O6 MW 406.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14N4O6/c25-17(8-9-18(26)27)23-20(14-6-1-2-7-15(14)21-19(20)28)11-16(22-23)12-4-3-5-13(10-12)24(29)30/h1-10H,11H2,(H,21,28)(H,26,27)/b9-8+InChIKey
GCRLRAZMKHKUMW-CMDGGOBGSA-NSynonyms
895848-73-4(2E)4(5(3nitrophenyl)2oxo12dihydrospiro(indole33pyrazol)2(4H)yl)4oxobut2enoicacid
(E)4(3(3nitrophenyl)2oxospiro(1Hindole354Hpyrazole)1yl)4oxobut2enoicacid
(E)4(5(3nitrophenyl)2oxospiro(indoline33pyrazol)2(4H)yl)4oxobut2enoicacid
895848734
C1C(=NN(C12C3=CC=CC=C3NC2=O)C(=O)C=CC(=O)O)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC20H14N4O6c2517(8918(26)27)2320(14612715(14)2119(20)28)1116(2223)1243513(1012)24(29)30h110H11H2(H2128)(H2627)b98+
MFCD08736239
OC(=O)C=CC(=O)N1N=C(CC21C(=O)Nc1c2cccc1)c1cccc(c1)(N+)(=O)(O)
ZINC000008743576
ZINC000009304938
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