Vitas-M small molecule compound

(5E)-3-(3-chloro-4-methylphenyl)-6-hydroxy-5-[(1-{2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]pyrimidine-2,4(3H,5H)-dione

Catalog ID
STL038675
SMILES C=CCc1ccc(c(c1)OC)OCCn1cccc1/C=C/1\C(=NC(=O)N(C1=O)c1ccc(c(c1)Cl)C)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 C28H26ClN3O5 MW 519.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26ClN3O5/c1-4-6-19-9-11-24(25(15-19)36-3)37-14-13-31-12-5-7-20(31)16-22-26(33)30-28(35)32(27(22)34)21-10-8-18(2)23(29)17-21/h4-5,7-12,15-17H,1,6,13-14H2,2-3H3,(H,30,33,35)/b22-16+
InChIKey
DMKOGJQUBGATRT-CJLVFECKSA-N
Synonyms
578006-07-2
(5E)1(3CHLORO4METHYLPHENYL)5((1(2(2METHOXY4PROP2ENYLPHENOXY)ETHYL)PYRROL2YL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)3(3chloro4methylphenyl)6hydroxy5((1(2(2methoxy4(prop2en1yl)phenoxy)ethyl)1Hpyrrol2yl)methylidene)pyrimidine24(3H5H)dione
578006072
C=CCc1ccc(c(c1)OC)OCCn1cccc1C=C1C(=NC(=O)N(C1=O)c1ccc(c(c1)Cl)C)O
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=CN3CCOC4=C(C=C(C=C4)CC=C)OC)C(=O)NC2=O)Cl
InChI=1SC28H26ClN3O5c1461991124(25(1519)363)37141331125720(31)162226(33)3028(35)32(27(22)34)2110818(2)23(29)1721h457121517H161314H223H3(H303335)b2216+
MFCD04082628
ZINC000013748871
ZINC13748871

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Available files

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