Vitas-M small molecule compound
4,5-bis(4-methoxyphenyl)-2-{[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]amino}furan-3-carbonitrile
Catalog ID
STL374177
SMILES COc1ccc(cc1)c1c(C#N)c(oc1c1ccc(cc1)OC)/N=C/c1cc2OCOc2cc1[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 C27H19N3O7 MW 497.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19N3O7/c1-33-19-7-3-16(4-8-19)25-21(13-28)27(37-26(25)17-5-9-20(34-2)10-6-17)29-14-18-11-23-24(36-15-35-23)12-22(18)30(31)32/h3-12,14H,15H2,1-2H3/b29-14+InChIKey
LAOXQTUPKKGRSS-IPPBACCNSA-NSynonyms
45bis(4methoxyphenyl)2(((E)(6nitro13benzodioxol5yl)methylidene)amino)furan3carbonitrile
45bis(4methoxyphenyl)2((E)(6nitro13benzodioxol5yl)methylideneamino)furan3carbonitrile
COC1=CC=C(C=C1)C2=C(OC(=C2C#N)N=CC3=CC4=C(C=C3(N+)(=O)(O))OCO4)C5=CC=C(C=C5)OC
COc1ccc(cc1)c1c(C#N)c(oc1c1ccc(cc1)OC)N=Cc1cc2OCOc2cc1(N+)(=O)(O)
InChI=1SC27H19N3O7c133197316(4819)2521(1328)27(3726(25)175920(342)10617)291418112324(36153523)1222(18)30(31)32h31214H15H212H3b2914+
MFCD01142146
ZINC000100182210
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