Vitas-M small molecule compound
(5E)-5-[(1-{2-[4-(butan-2-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]-3-(3-chloro-4-methylphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Catalog ID
STK565370
SMILES CCC(c1ccc(cc1)OCCn1cccc1/C=C/1\C(=NC(=O)N(C1=O)c1ccc(c(c1)Cl)C)O)C
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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 C28H28ClN3O4 MW 506.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28ClN3O4/c1-4-18(2)20-8-11-23(12-9-20)36-15-14-31-13-5-6-21(31)16-24-26(33)30-28(35)32(27(24)34)22-10-7-19(3)25(29)17-22/h5-13,16-18H,4,14-15H2,1-3H3,(H,30,33,35)/b24-16+InChIKey
PONOWPFTXVZZAE-LFVJCYFKSA-NSynonyms
585560-89-0(5E)5((1(2(4(butan2yl)phenoxy)ethyl)1Hpyrrol2yl)methylidene)3(3chloro4methylphenyl)6hydroxypyrimidine24(3H5H)dione
(5E)5((1(2(4BUTAN2YLPHENOXY)ETHYL)PYRROL2YL)METHYLIDENE)1(3CHLORO4METHYLPHENYL)13DIAZINANE246TRIONE
585560890
CCC(C)C1=CC=C(C=C1)OCCN2C=CC=C2C=C3C(=O)NC(=O)N(C3=O)C4=CC(=C(C=C4)C)Cl
CCC(c1ccc(cc1)OCCn1cccc1C=C1C(=NC(=O)N(C1=O)c1ccc(c(c1)Cl)C)O)C
InChI=1SC28H28ClN3O4c1418(2)2081123(12920)36151431135621(31)162426(33)3028(35)32(27(24)34)2210719(3)25(29)1722h5131618H41415H213H3(H303335)b2416+
MFCD04078450
ZINC000017196490
ZINC000017196493
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