Vitas-M small molecule compound

3-{(2E)-2-[(5-methoxy-1,2-dimethyl-1H-indol-3-yl)methylidene]hydrazinyl}-5H-[1,2,4]triazino[5,6-b]indole

Catalog ID
STK583808
SMILES COc1ccc2c(c1)c(/C=N/Nc1nnc3c(n1)[nH]c1c3cccc1)c(n2C)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 C21H19N7O MW 385.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N7O/c1-12-16(15-10-13(29-3)8-9-18(15)28(12)2)11-22-26-21-24-20-19(25-27-21)14-6-4-5-7-17(14)23-20/h4-11H,1-3H3,(H2,23,24,26,27)/b22-11+
InChIKey
IVCPJRWTVOFHOE-SSDVNMTOSA-N
Synonyms
877808-38-3
(E)3(2((5methoxy12dimethyl1Hindol3yl)methylene)hydrazinyl)5H(124)triazino(56b)indole
3((2E)2((5methoxy12dimethyl1Hindol3yl)methylidene)hydrazinyl)5H(124)triazino(56b)indole
877808383
CC1=C(C2=C(N1C)C=CC(=C2)OC)C=NNC3=NC4=C(C5=CC=CC=C5N4)N=N3
COc1ccc2c(c1)c(C=NNc1nnc3c(n1)(nH)c1c3cccc1)c(n2C)C
InChI=1SC21H19N7Oc11216(151013(293)8918(15)28(12)2)11222621242019(252721)14645717(14)2320h411H13H3(H223242627)b2211+
MFCD05705886
N((E)(5methoxy12dimethylindol3yl)methylideneamino)5H(124)triazino(56b)indol3amine
ZINC000005516551
ZINC38163196

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Available files

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