Vitas-M small molecule compound
2-{[(4-{[(2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)carbonyl]amino}hexanedioate
Catalog ID
STL145897
SMILES O=CN1C(CNc2ccc(cc2)C(=O)NC(C(=O)[O-])CCCC(=O)[O-])CNc2c1c(=O)[nH]c(n2)N
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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 C21H23N7O7 MW 485.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N7O7/c22-21-26-17-16(19(33)27-21)28(10-29)13(9-24-17)8-23-12-6-4-11(5-7-12)18(32)25-14(20(34)35)2-1-3-15(30)31/h4-7,10,13-14,23H,1-3,8-9H2,(H,25,32)(H,30,31)(H,34,35)(H4,22,24,26,27,33)/p-2InChIKey
GOQSXAYRWFUXOD-UHFFFAOYSA-LSynonyms
2(((4(((2amino5formyl4oxo345678hexahydropteridin6yl)methyl)amino)phenyl)carbonyl)amino)hexanedioate
2((4((2amino5formyl4oxo1678tetrahydropteridin6yl)methylamino)benzoyl)amino)hexanedioate
C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCCC(=O)(O))C(=O)(O)
InChI=1SC21H25N7O7c2221261716(19(33)2721)28(1029)13(92417)823126411(5712)18(32)2514(20(34)35)21315(30)31h4710131423H1389H2(H2532)(H3031)(H3435)(H42224262733)p2
O=CN1C(CNc2ccc(cc2)C(=O)NC(C(=O)(O))CCCC(=O)(O))CNc2c1c(=O)(nH)c(n2)N
ZINC000008997303
ZINC000008997306
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