Vitas-M small molecule compound
methyl N-{(E)-[2-hydroxy-4,6-dioxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}tryptophanate
Catalog ID
STK596642
SMILES C=CCN1C(=NC(=O)/C(=C\NC(C(=O)OC)Cc2c[nH]c3c2cccc3)/C1=O)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 C20H20N4O5 MW 396.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O5/c1-3-8-24-18(26)14(17(25)23-20(24)28)11-22-16(19(27)29-2)9-12-10-21-15-7-5-4-6-13(12)15/h3-7,10-11,16,21-22H,1,8-9H2,2H3,(H,23,25,28)/b14-11+InChIKey
PDPKKQCJDADZLZ-SDNWHVSQSA-NSynonyms
C=CCN1C(=NC(=O)C(=CNC(C(=O)OC)Cc2c(nH)c3c2cccc3)C1=O)O
COC(=O)C(CC1=CNC2=CC=CC=C21)NC=C3C(=O)NC(=O)N(C3=O)CC=C
InChI=1SC20H20N4O5c1382418(26)14(17(25)2320(24)28)112216(19(27)292)912102115754613(12)15h371011162122H189H22H3(H232528)b1411+
METHYL3(1HINDOL3YL)2(((E)(246TRIOXO1PROP2ENYL13DIAZINAN5YLIDENE)METHYL)AMINO)PROPANOATE
methylN((E)(2hydroxy46dioxo1(prop2en1yl)16dihydropyrimidin5(4H)ylidene)methyl)tryptophanate
MFCD07212252
ZINC000002395736
ZINC000101087463
ZINC000101087464
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