Vitas-M small molecule compound
methyl N-{(E)-[1-(2-chlorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}tryptophanate
Catalog ID
STK594609
SMILES COC(=O)C(Cc1c[nH]c2c1cccc2)N/C=C/1\C(=NC(=O)N(C1=O)c1ccccc1Cl)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)18(10-13-11-25-17-8-4-2-6-14(13)17)26-12-15-20(29)27-23(32)28(21(15)30)19-9-5-3-7-16(19)24/h2-9,11-12,18,25-26H,10H2,1H3,(H,27,29,32)/b15-12+InChIKey
PQNDGUIJNFNJGV-NTCAYCPXSA-NSynonyms
COC(=O)C(CC1=CNC2=CC=CC=C21)NC=C3C(=O)NC(=O)N(C3=O)C4=CC=CC=C4Cl
COC(=O)C(Cc1c(nH)c2c1cccc2)NC=C1C(=NC(=O)N(C1=O)c1ccccc1Cl)O
InChI=1SC23H19ClN4O5c13322(31)18(1013112517842614(13)17)26121520(29)2723(32)28(21(15)30)19953716(19)24h291112182526H10H21H3(H272932)b1512+
METHYL2(((E)(1(2CHLOROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)AMINO)3(1HINDOL3YL)PROPANOATE
methylN((E)(1(2chlorophenyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)tryptophanate
MFCD07199207
ZINC000002369728
ZINC000002369730
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