Vitas-M small molecule compound

(5Z)-5-[(1-{3-[4-(butan-2-yl)phenoxy]propyl}-1H-indol-3-yl)methylidene]-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione

Catalog ID
STK562161
SMILES CCC(c1ccc(cc1)OCCCn1cc(c2c1cccc2)/C=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)F)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 C32H30FN3O4 MW 539.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30FN3O4/c1-3-21(2)22-9-15-26(16-10-22)40-18-6-17-35-20-23(27-7-4-5-8-29(27)35)19-28-30(37)34-32(39)36(31(28)38)25-13-11-24(33)12-14-25/h4-5,7-16,19-21H,3,6,17-18H2,1-2H3,(H,34,37,39)/b28-19-
InChIKey
WRXQERFQNLYBML-USHMODERSA-N
Synonyms
674359-32-1
(5Z)5((1(3(4(butan2yl)phenoxy)propyl)1Hindol3yl)methylidene)3(4fluorophenyl)6hydroxypyrimidine24(3H5H)dione
(5Z)5((1(3(4butan2ylphenoxy)propyl)indol3yl)methylidene)1(4fluorophenyl)13diazinane246trione
674359321
CCC(C)C1=CC=C(C=C1)OCCCN2C=C(C3=CC=CC=C32)C=C4C(=O)NC(=O)N(C4=O)C5=CC=C(C=C5)F
CCC(c1ccc(cc1)OCCCn1cc(c2c1cccc2)C=C1C(=NC(=O)N(C1=O)c1ccc(cc1)F)O)C
InChI=1SC32H30FN3O4c1321(2)2291526(161022)4018617352023(27745829(27)35)192830(37)3432(39)36(31(28)38)25131124(33)121425h457161921H361718H212H3(H343739)b2819
MFCD04076326
ZINC000097966938
ZINC000097966939

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Available files

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