Vitas-M small molecule compound
(3E)-3-(2-{[(3-chloro-4-methylphenyl)amino](oxo)acetyl}hydrazinylidene)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
Catalog ID
STK115232
SMILES C/C(=N\NC(=O)C(=O)Nc1ccc(c(c1)Cl)C)/CC(=O)Nc1ccc2c(c1)OCCO2
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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 C21H21ClN4O5 MW 444.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN4O5/c1-12-3-4-14(10-16(12)22)24-20(28)21(29)26-25-13(2)9-19(27)23-15-5-6-17-18(11-15)31-8-7-30-17/h3-6,10-11H,7-9H2,1-2H3,(H,23,27)(H,24,28)(H,26,29)/b25-13+InChIKey
IUBHJXDBGDDCCL-DHRITJCHSA-NSynonyms
(3E)3(2(((3CHLORO4METHYLPHENYL)AMINO)(OXO)ACETYL)HYDRAZINYLIDENE)N(23DIHYDRO14BENZODIOXIN6YL)BUTANAMIDE
CC(=NNC(=O)C(=O)Nc1ccc(c(c1)Cl)C)CC(=O)Nc1ccc2c(c1)OCCO2
CC1=C(C=C(C=C1)NC(=O)C(=O)NN=C(C)CC(=O)NC2=CC3=C(C=C2)OCCO3)Cl
InChI=1SC21H21ClN4O5c1123414(1016(12)22)2420(28)21(29)262513(2)919(27)2315561718(1115)31873017h361011H79H212H3(H2327)(H2428)(H2629)b2513+
MFCD00752446
N(3chloro4methylphenyl)N((E)(4(23dihydro14benzodioxin6ylamino)4oxobutan2ylidene)amino)oxamide
ZINC000012628857
ZINC101534700
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