Vitas-M small molecule compound

methyl N-{(E)-[4-hydroxy-1-(4-iodophenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}tryptophanate

Catalog ID
STK580248
SMILES COC(=O)C(Cc1c[nH]c2c1cccc2)N/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)I)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 C23H19IN4O5 MW 558.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19IN4O5/c1-33-22(31)19(10-13-11-25-18-5-3-2-4-16(13)18)26-12-17-20(29)27-23(32)28(21(17)30)15-8-6-14(24)7-9-15/h2-9,11-12,19,25-26H,10H2,1H3,(H,27,29,32)/b17-12+
InChIKey
QOFYDJSPNGPBTG-SFQUDFHCSA-N
Synonyms

COC(=O)C(CC1=CNC2=CC=CC=C21)NC=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)I
COC(=O)C(Cc1c(nH)c2c1cccc2)NC=C1C(=NC(=O)N(C1=O)c1ccc(cc1)I)O
InChI=1SC23H19IN4O5c13322(31)19(1013112518532416(13)18)26121720(29)2723(32)28(21(17)30)158614(24)7915h291112192526H10H21H3(H272932)b1712+
methyl3(1Hindol3yl)2(((E)(1(4iodophenyl)246trioxo13diazinan5ylidene)methyl)amino)propanoate
methylN((E)(4hydroxy1(4iodophenyl)26dioxo16dihydropyrimidin5(2H)ylidene)methyl)tryptophanate
MFCD07207093
ZINC000097967998
ZINC000097967999

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.