Vitas-M small molecule compound

(3E)-3-{2-[(3,4-dimethoxyphenyl)acetyl]hydrazinylidene}-N-(4-methoxy-2-nitrophenyl)butanamide

Catalog ID
STK052756
SMILES COc1ccc(c(c1)[N+](=O)[O-])NC(=O)C/C(=N/NC(=O)Cc1ccc(c(c1)OC)OC)/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 C21H24N4O7 MW 444.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O7/c1-13(9-20(26)22-16-7-6-15(30-2)12-17(16)25(28)29)23-24-21(27)11-14-5-8-18(31-3)19(10-14)32-4/h5-8,10,12H,9,11H2,1-4H3,(H,22,26)(H,24,27)/b23-13+
InChIKey
XGUVGGKDJJIIKG-YDZHTSKRSA-N
Synonyms

(3E)3((2(34dimethoxyphenyl)acetyl)hydrazinylidene)N(4methoxy2nitrophenyl)butanamide
(3E)3(2((34DIMETHOXYPHENYL)ACETYL)HYDRAZINYLIDENE)N(4METHOXY2NITROPHENYL)BUTANAMIDE
(3E)4(2(34DIMETHOXYPHENYL)ACETYLAMINO)N(4METHOXY2NITROPHENYL)3METHYL4AZABUT3ENAMIDE
CC(=NNC(=O)CC1=CC(=C(C=C1)OC)OC)CC(=O)NC2=C(C=C(C=C2)OC)(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))NC(=O)CC(=NNC(=O)Cc1ccc(c(c1)OC)OC)C
InChI=1SC21H24N4O7c113(920(26)22167615(302)1217(16)25(28)29)232421(27)11145818(313)19(1014)324h581012H911H214H3(H2226)(H2427)b2313+
MFCD00494539
STK052756
ZINC000013943763
ZINC101445497

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Available files

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