Vitas-M small molecule compound
ethyl 4-{[(Z)-{1-[2-(cyclohex-1-en-1-yl)ethyl]-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene}methyl]amino}benzoate
Catalog ID
STL053768
SMILES CCOC(=O)c1ccc(cc1)N/C=C\1/C(=NC(=O)N(C1=O)CCC1=CCCCC1)O
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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 C22H25N3O5 MW 411.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O5/c1-2-30-21(28)16-8-10-17(11-9-16)23-14-18-19(26)24-22(29)25(20(18)27)13-12-15-6-4-3-5-7-15/h6,8-11,14,23H,2-5,7,12-13H2,1H3,(H,24,26,29)/b18-14-InChIKey
AVNIAWMLFZIHNE-JXAWBTAJSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC=C2C(=O)NC(=O)N(C2=O)CCC3=CCCCC3
CCOC(=O)c1ccc(cc1)NC=C1C(=NC(=O)N(C1=O)CCC1=CCCCC1)O
ethyl4(((Z)(1(2(cyclohex1en1yl)ethyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)amino)benzoate
ETHYL4(((Z)(1(2(CYCLOHEXEN1YL)ETHYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)AMINO)BENZOATE
InChI=1SC22H25N3O5c123021(28)1681017(11916)23141819(26)2422(29)25(20(18)27)1312156435715h68111423H2571213H21H3(H242629)b1814
MFCD18192731
ZINC000009089601
ZINC09089601
ZINC9089601
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