Vitas-M small molecule compound

(5Z)-5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione

Catalog ID
STK567187
SMILES C=CCN1C(=O)N=C(/C(=C/c2cc(n(c2C)c2ccc(cc2)F)C)/C1=O)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 C20H18FN3O3 MW 367.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18FN3O3/c1-4-9-23-19(26)17(18(25)22-20(23)27)11-14-10-12(2)24(13(14)3)16-7-5-15(21)6-8-16/h4-8,10-11H,1,9H2,2-3H3,(H,22,25,27)/b17-11-
InChIKey
CEUQVGNMZWHRAX-BOPFTXTBSA-N
Synonyms
714235-49-1
(5Z)5((1(4fluorophenyl)25dimethyl1Hpyrrol3yl)methylidene)6hydroxy3(prop2en1yl)pyrimidine24(3H5H)dione
(5Z)5((1(4FLUOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1PROP2ENYL13DIAZINANE246TRIONE
714235491
C=CCN1C(=O)N=C(C(=Cc2cc(n(c2C)c2ccc(cc2)F)C)C1=O)O
CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C=C3C(=O)NC(=O)N(C3=O)CC=C
InChI=1SC20H18FN3O3c1492319(26)17(18(25)2220(23)27)11141012(2)24(13(14)3)167515(21)6816h481011H19H223H3(H222527)b1711
MFCD05728943
ZINC000001249757
ZINC01249757
ZINC1249757
ZINC13512545

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Available files

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