Vitas-M small molecule compound
(2E)-4-[tert-butyl(2,4-dichlorobenzyl)amino]-4-oxobut-2-enoic acid
Catalog ID
STK098745
SMILES OC(=O)/C=C/C(=O)N(C(C)(C)C)Cc1ccc(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 C15H17Cl2NO3 MW 330.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17Cl2NO3/c1-15(2,3)18(13(19)6-7-14(20)21)9-10-4-5-11(16)8-12(10)17/h4-8H,9H2,1-3H3,(H,20,21)/b7-6+InChIKey
XOVLUCLWQARXCB-VOTSOKGWSA-NSynonyms
315195-44-9(2E)4(TERTBUTYL(24DICHLOROBENZYL)AMINO)4OXOBUT2ENOICACID
(E)4(TERTBUTYL((24DICHLOROPHENYL)METHYL)AMINO)4OXOBUT2ENOICACID
(E)4(tertbutyl(24dichlorobenzyl)amino)4oxobut2enoicacid
315195449
CC(C)(C)N(CC1=C(C=C(C=C1)Cl)Cl)C(=O)C=CC(=O)O
InChI=1SC15H17Cl2NO3c115(23)18(13(19)6714(20)21)9104511(16)812(10)17h48H9H213H3(H2021)b76+
MFCD00416453
OC(=O)C=CC(=O)N(C(C)(C)C)Cc1ccc(cc1Cl)Cl
STK098745
ZINC000001951065
ZINC1951065
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