Vitas-M small molecule compound

N-(furan-2-ylmethyl)-6-{(2E)-2-[3-iodo-5-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]hydrazinyl}-N'-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine

Catalog ID
STK374583
SMILES C#CCOc1c(I)cc(cc1OC)/C=N/Nc1nc(NCc2ccco2)nc(n1)Nc1ccc(cc1)OC

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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 C26H24IN7O4 MW 625.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24IN7O4/c1-4-11-38-23-21(27)13-17(14-22(23)36-3)15-29-34-26-32-24(28-16-20-6-5-12-37-20)31-25(33-26)30-18-7-9-19(35-2)10-8-18/h1,5-10,12-15H,11,16H2,2-3H3,(H3,28,30,31,32,33,34)/b29-15+
InChIKey
ASCPIFFDSRSUMC-WKULSOCRSA-N
Synonyms

3IODO5METHOXY4(2PROPYNYLOXY)BENZALDEHYDE(4((2FURYLMETHYL)AMINO)6(4METHOXYANILINO)135TRIAZIN2YL)HYDRAZONE
6N(furan2ylmethyl)2N((E)(3iodo5methoxy4prop2ynoxyphenyl)methylideneamino)4N(4methoxyphenyl)135triazine246triamine
C#CCOc1c(I)cc(cc1OC)C=NNc1nc(NCc2ccco2)nc(n1)Nc1ccc(cc1)OC
COC1=CC=C(C=C1)NC2=NC(=NC(=N2)NN=CC3=CC(=C(C(=C3)I)OCC#C)OC)NCC4=CC=CO4
InChI=1SC26H24IN7O4c1411382321(27)1317(1422(23)363)152934263224(28162065123720)3125(3326)30187919(352)10818h15101215H1116H223H3(H3283031323334)b2915+
MFCD01029759
N(furan2ylmethyl)6((2E)2(3iodo5methoxy4(prop2yn1yloxy)benzylidene)hydrazinyl)N(4methoxyphenyl)135triazine24diamine
ZINC000004044957
ZINC150587345

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Available files

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