Vitas-M small molecule compound
methyl N-{(E)-[1-(3-chlorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}tryptophanate
Catalog ID
STK593175
SMILES COC(=O)C(Cc1c[nH]c2c1cccc2)N/C=C/1\C(=NC(=O)N(C1=O)c1cccc(c1)Cl)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 C23H19ClN4O5 MW 466.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19ClN4O5/c1-33-22(31)19(9-13-11-25-18-8-3-2-7-16(13)18)26-12-17-20(29)27-23(32)28(21(17)30)15-6-4-5-14(24)10-15/h2-8,10-12,19,25-26H,9H2,1H3,(H,27,29,32)/b17-12+InChIKey
DCTLBZAGFTUKRX-SFQUDFHCSA-NSynonyms
COC(=O)C(CC1=CNC2=CC=CC=C21)NC=C3C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)Cl
COC(=O)C(Cc1c(nH)c2c1cccc2)NC=C1C(=NC(=O)N(C1=O)c1cccc(c1)Cl)O
InChI=1SC23H19ClN4O5c13322(31)19(913112518832716(13)18)26121720(29)2723(32)28(21(17)30)1564514(24)1015h281012192526H9H21H3(H272932)b1712+
METHYL2(((E)(1(3CHLOROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)AMINO)3(1HINDOL3YL)PROPANOATE
methylN((E)(1(3chlorophenyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)tryptophanate
MFCD07200511
ZINC000002379437
ZINC000002379444
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