Vitas-M small molecule compound
N-{(E)-[1-(4-chlorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}alanylasparagine
Catalog ID
STL051064
SMILES NC(=O)CC(C(=O)O)NC(=O)C(N/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)Cl)O)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 C18H18ClN5O7 MW 451.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18ClN5O7/c1-8(14(26)22-12(17(29)30)6-13(20)25)21-7-11-15(27)23-18(31)24(16(11)28)10-4-2-9(19)3-5-10/h2-5,7-8,12,21H,6H2,1H3,(H2,20,25)(H,22,26)(H,29,30)(H,23,27,31)/b11-7+InChIKey
NKZUYPXFECRHNI-YRNVUSSQSA-NSynonyms
4AMINO2(2(((E)(1(4CHLOROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)AMINO)PROPANOYLAMINO)4OXOBUTANOICACID
CC(C(=O)NC(CC(=O)N)C(=O)O)NC=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)Cl
InChI=1SC18H18ClN5O7c18(14(26)2212(17(29)30)613(20)25)2171115(27)2318(31)24(16(11)28)10429(19)3510h25781221H6H21H3(H22025)(H2226)(H2930)(H232731)b117+
MFCD05730615
N((E)(1(4chlorophenyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)alanylasparagine
NC(=O)CC(C(=O)O)NC(=O)C(NC=C1C(=NC(=O)N(C1=O)c1ccc(cc1)Cl)O)C
ZINC000002604137
ZINC000020462996
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