Vitas-M small molecule compound

(3E)-N-[4-(acetylamino)phenyl]-3-(2-{[(3-methoxyphenyl)amino](oxo)acetyl}hydrazinylidene)butanamide

Catalog ID
STK083075
SMILES COc1cccc(c1)NC(=O)C(=O)N/N=C(/CC(=O)Nc1ccc(cc1)NC(=O)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 C21H23N5O5 MW 425.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O5/c1-13(11-19(28)23-16-9-7-15(8-10-16)22-14(2)27)25-26-21(30)20(29)24-17-5-4-6-18(12-17)31-3/h4-10,12H,11H2,1-3H3,(H,22,27)(H,23,28)(H,24,29)(H,26,30)/b25-13+
InChIKey
APXCNDOFEMVAHR-DHRITJCHSA-N
Synonyms
401580-92-5
(3E)N(4(ACETYLAMINO)PHENYL)3(2(((3METHOXYPHENYL)AMINO)(OXO)ACETYL)HYDRAZINYLIDENE)BUTANAMIDE
(E)N(4acetamidophenyl)3(2(2((3methoxyphenyl)amino)2oxoacetyl)hydrazono)butanamide
401580925
CC(=NNC(=O)C(=O)NC1=CC(=CC=C1)OC)CC(=O)NC2=CC=C(C=C2)NC(=O)C
COc1cccc(c1)NC(=O)C(=O)NN=C(CC(=O)Nc1ccc(cc1)NC(=O)C)C
InChI=1SC21H23N5O5c113(1119(28)23169715(81016)2214(2)27)252621(30)20(29)241754618(1217)313h41012H11H213H3(H2227)(H2328)(H2429)(H2630)b2513+
MFCD01895070
N((1E)3(N(4(ACETYLAMINO)PHENYL)CARBAMOYL)2METHYL1AZAPROP1ENYL)N(3METHOXYPHENYL)ETHANE12DIAMIDE
N((E)(4(4acetamidoanilino)4oxobutan2ylidene)amino)N(3methoxyphenyl)oxamide
STK083075
ZINC000100372557
ZINC15899741

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Available files

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