Vitas-M small molecule compound

(3E)-N-(3-chloro-4-methylphenyl)-3-{2-[(3,5-dimethoxyphenyl)carbonyl]hydrazinylidene}butanamide

Catalog ID
STK097881
SMILES COc1cc(OC)cc(c1)C(=O)N/N=C(/CC(=O)Nc1ccc(c(c1)Cl)C)\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 C20H22ClN3O4 MW 403.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClN3O4/c1-12-5-6-15(10-18(12)21)22-19(25)7-13(2)23-24-20(26)14-8-16(27-3)11-17(9-14)28-4/h5-6,8-11H,7H2,1-4H3,(H,22,25)(H,24,26)/b23-13+
InChIKey
KILXTOANWOIDGQ-YDZHTSKRSA-N
Synonyms

(3E)4((35DIMETHOXYPHENYL)CARBONYLAMINO)N(3CHLORO4METHYLPHENYL)3METHYL4AZABUT3ENAMIDE
(3E)N(3CHLORO4METHYLPHENYL)3(2((35DIMETHOXYPHENYL)CARBONYL)HYDRAZINYLIDENE)BUTANAMIDE
CC1=C(C=C(C=C1)NC(=O)CC(=NNC(=O)C2=CC(=CC(=C2)OC)OC)C)Cl
COc1cc(OC)cc(c1)C(=O)NN=C(CC(=O)Nc1ccc(c(c1)Cl)C)C
InChI=1SC20H22ClN3O4c1125615(1018(12)21)2219(25)713(2)232420(26)14816(273)1117(914)284h56811H7H214H3(H2225)(H2426)b2313+
MFCD00760031
N((E)(4(3chloro4methylanilino)4oxobutan2ylidene)amino)35dimethoxybenzamide
STK097881
ZINC000004677103
ZINC101500097

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Available files

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