Vitas-M small molecule compound

4-{2-[(4-tert-butylphenyl)carbonyl]hydrazinyl}-N-(2,4-dichlorophenyl)-4-oxobutanamide

Catalog ID
STK074739
SMILES O=C(NNC(=O)c1ccc(cc1)C(C)(C)C)CCC(=O)Nc1ccc(cc1Cl)Cl

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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 C21H23Cl2N3O3 MW 436.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23Cl2N3O3/c1-21(2,3)14-6-4-13(5-7-14)20(29)26-25-19(28)11-10-18(27)24-17-9-8-15(22)12-16(17)23/h4-9,12H,10-11H2,1-3H3,(H,24,27)(H,25,28)(H,26,29)
InChIKey
XDFROFXKUBZGHP-UHFFFAOYSA-N
Synonyms

4(2((4TERTBUTYLPHENYL)CARBONYL)HYDRAZINYL)N(24DICHLOROPHENYL)4OXOBUTANAMIDE
4(2(4TERTBUTYLBENZOYL)HYDRAZINO)N(24DICHLOROPHENYL)4OXOBUTANAMIDE
4(2(4TERTBUTYLBENZOYL)HYDRAZINYL)N(24DICHLOROPHENYL)4OXOBUTANAMIDE
CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)CCC(=O)NC2=C(C=C(C=C2)Cl)Cl
InChI=1SC21H23Cl2N3O3c121(23)146413(5714)20(29)262519(28)111018(27)24179815(22)1216(17)23h4912H1011H213H3(H2427)(H2528)(H2629)
MFCD03168260
O=C(NNC(=O)c1ccc(cc1)C(C)(C)C)CCC(=O)Nc1ccc(cc1Cl)Cl
STK074739
ZINC000002134924
ZINC02134924
ZINC2134924

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Available files

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