Vitas-M small molecule compound
methyl {(3E)-2-oxo-3-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]-2,3-dihydro-1H-indol-1-yl}acetate
Catalog ID
STK761516
SMILES COC(=O)CN1C(=O)/C(=N/Nc2nnc3c(n2)[nH]c2c3cccc2)/c2c1cccc2
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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 C20H15N7O3 MW 401.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N7O3/c1-30-15(28)10-27-14-9-5-3-7-12(14)17(19(27)29)24-26-20-22-18-16(23-25-20)11-6-2-4-8-13(11)21-18/h2-9H,10H2,1H3,(H2,21,22,25,26)/b24-17+InChIKey
WATTXWJWVSGFDH-JJIBRWJFSA-NSynonyms
COC(=O)CN1C(=O)C(=NNc2nnc3c(n2)(nH)c2c3cccc2)c2c1cccc2
COC(=O)CN1C2=CC=CC=C2C(=NNC3=NC4=C(C5=CC=CC=C5N4)N=N3)C1=O
InChI=1SC20H15N7O3c13015(28)102714953712(14)17(19(27)29)242620221816(232520)11624813(11)2118h29H10H21H3(H221222526)b2417+
methyl((3E)2oxo3(2(5H(124)triazino(56b)indol3yl)hydrazinylidene)23dihydro1Hindol1yl)acetate
methyl2((3E)2oxo3(5H(124)triazino(56b)indol3ylhydrazinylidene)indol1yl)acetate
MFCD01806350
ZINC000004536245
ZINC102879724
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