Vitas-M small molecule compound

Catalog ID
STK672590
SMILES Cc1cccc(c1)OP(=O)(Oc1cccc(c1)C)N/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 C22H20N3O7P MW 469.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N3O7P/c1-15-5-3-7-18(9-15)31-33(28,32-19-8-4-6-16(2)10-19)24-23-13-17-11-21-22(30-14-29-21)12-20(17)25(26)27/h3-13H,14H2,1-2H3,(H,24,28)/b23-13+
InChIKey
MMISNBWMCBCVTR-YDZHTSKRSA-N
Synonyms

5((E)(bis(3methylphenoxy)phosphorylhydrazinylidene)methyl)6nitro13benzodioxole
CC1=CC(=CC=C1)OP(=O)(NN=CC2=CC3=C(C=C2(N+)(=O)(O))OCO3)OC4=CC=CC(=C4)C
Cc1cccc(c1)OP(=O)(Oc1cccc(c1)C)NN=Cc1cc2OCOc2cc1(N+)(=O)(O)
InChI=1SC22H20N3O7Pc11553718(915)3133(28321984616(2)1019)24231317112122(30142921)1220(17)25(26)27h313H14H212H3(H2428)b2313+
MFCD00824910
ZINC000003117434
ZINC33371588

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Available files

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