Vitas-M small molecule compound
methyl (5Z)-2,2-dimethyl-4,6-dioxo-5-[(pyridin-4-ylamino)methylidene]cyclohexanecarboxylate
Catalog ID
STL328576
SMILES COC(=O)C1C(=O)/C(=C\Nc2ccncc2)/C(=O)CC1(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 C16H18N2O4 MW 302.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O4/c1-16(2)8-12(19)11(14(20)13(16)15(21)22-3)9-18-10-4-6-17-7-5-10/h4-7,9,13H,8H2,1-3H3,(H,17,18)/b11-9-InChIKey
MVNCKTJJRFRZRD-LUAWRHEFSA-NSynonyms
(Z)methyl22dimethyl46dioxo5((pyridin4ylamino)methylene)cyclohexanecarboxylate
CC1(CC(=O)C(=CNC2=CC=NC=C2)C(=O)C1C(=O)OC)C
COC(=O)C1C(=O)C(=CNc2ccncc2)C(=O)CC1(C)C
InChI=1SC16H18N2O4c116(2)812(19)11(14(20)13(16)15(21)223)9181046177510h47913H8H213H3(H1718)b119
METHYL(5Z)22DIMETHYL46DIOXO5((PYRIDIN4YLAMINO)METHYLIDENE)CYCLOHEXANE1CARBOXYLATE
methyl(5Z)22dimethyl46dioxo5((pyridin4ylamino)methylidene)cyclohexanecarboxylate
MFCD00512949
ZINC000100734280
ZINC000100734282
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