Vitas-M small molecule compound
methyl N-{(E)-[4-hydroxy-2,6-dioxo-1-(propan-2-yl)-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}tryptophanate
Catalog ID
STK591899
SMILES COC(=O)C(Cc1c[nH]c2c1cccc2)N/C=C/1\C(=NC(=O)N(C1=O)C(C)C)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 C20H22N4O5 MW 398.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O5/c1-11(2)24-18(26)14(17(25)23-20(24)28)10-22-16(19(27)29-3)8-12-9-21-15-7-5-4-6-13(12)15/h4-7,9-11,16,21-22H,8H2,1-3H3,(H,23,25,28)/b14-10+InChIKey
PRAZBJWILYNFBH-GXDHUFHOSA-NSynonyms
CC(C)N1C(=O)C(=CNC(CC2=CNC3=CC=CC=C32)C(=O)OC)C(=O)NC1=O
COC(=O)C(Cc1c(nH)c2c1cccc2)NC=C1C(=NC(=O)N(C1=O)C(C)C)O
InChI=1SC20H22N4O5c111(2)2418(26)14(17(25)2320(24)28)102216(19(27)293)81292115754613(12)15h47911162122H8H213H3(H232528)b1410+
methyl3(1Hindol3yl)2(((E)(246trioxo1propan2yl13diazinan5ylidene)methyl)amino)propanoate
methylN((E)(4hydroxy26dioxo1(propan2yl)16dihydropyrimidin5(2H)ylidene)methyl)tryptophanate
MFCD07797237
ZINC000020567644
ZINC000020567645
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