Vitas-M small molecule compound

1,3-dioxo-2-(3-phenyl-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-isoindole-5-carboxylic acid

Catalog ID
STK201155
SMILES OC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1[nH]nc(n1)c1ccccc1

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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 C17H10N4O4 MW 334.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H10N4O4/c22-14-11-7-6-10(16(24)25)8-12(11)15(23)21(14)17-18-13(19-20-17)9-4-2-1-3-5-9/h1-8H,(H,24,25)(H,18,19,20)
InChIKey
ULNMORBTPODQLA-UHFFFAOYSA-N
Synonyms

13BIS(OXIDANYLIDENE)2(5PHENYL1H124TRIAZOL3YL)ISOINDOLE5CARBOXYLICACID
13DIKETO2(5PHENYL1H124TRIAZOL3YL)ISOINDOLINE5CARBOXYLICACID
13DIOXO2(3PHENYL1H124TRIAZOL5YL)23DIHYDRO1HISOINDOLE5CARBOXYLICACID
13DIOXO2(3PHENYL1H124TRIAZOL5YL)5ISOINDOLINECARBOXYLICACID
13DIOXO2(5PHENYL1H124TRIAZOL3YL)23DIHYDRO1HISOINDOLE5CARBOXYLICACID
13DIOXO2(5PHENYL1H124TRIAZOL3YL)5ISOINDOLECARBOXYLICACID
13DIOXO2(5PHENYL1H124TRIAZOL3YL)ISOINDOLE5CARBOXYLICACID
C1=CC=C(C=C1)C2=NC(=NN2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O
InChI=1SC17H10N4O4c2214117610(16(24)25)812(11)15(23)21(14)171813(192017)9421359h18H(H2425)(H181920)
MFCD06626776
OC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1(nH)nc(n1)c1ccccc1
ZINC000004209692
ZINC4209692

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.