Vitas-M small molecule compound
(5Z)-5-[(1-{3-[2-(butan-2-yl)phenoxy]propyl}-1H-indol-3-yl)methylidene]-3-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Catalog ID
STL045059
SMILES CCC(c1ccccc1OCCCn1cc(c2c1cccc2)/C=C\1/C(=NC(=O)N(C1=O)Cc1ccco1)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 C31H31N3O5 MW 525.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O5/c1-3-21(2)24-11-5-7-14-28(24)39-17-9-15-33-19-22(25-12-4-6-13-27(25)33)18-26-29(35)32-31(37)34(30(26)36)20-23-10-8-16-38-23/h4-8,10-14,16,18-19,21H,3,9,15,17,20H2,1-2H3,(H,32,35,37)/b26-18-InChIKey
XNTSPDSEYLAPTF-ITYLOYPMSA-NSynonyms
674363-32-7(5Z)5((1(3(2(butan2yl)phenoxy)propyl)1Hindol3yl)methylidene)3(furan2ylmethyl)6hydroxypyrimidine24(3H5H)dione
(5Z)5((1(3(2butan2ylphenoxy)propyl)indol3yl)methylidene)1(furan2ylmethyl)13diazinane246trione
674363327
CCC(C)C1=CC=CC=C1OCCCN2C=C(C3=CC=CC=C32)C=C4C(=O)NC(=O)N(C4=O)CC5=CC=CO5
CCC(c1ccccc1OCCCn1cc(c2c1cccc2)C=C1C(=NC(=O)N(C1=O)Cc1ccco1)O)C
InChI=1SC31H31N3O5c1321(2)2411571428(24)3917915331922(2512461327(25)33)182629(35)3231(37)34(30(26)36)2023108163823h48101416181921H39151720H212H3(H323537)b2618
MFCD04076830
ZINC000002594558
ZINC000002594560
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