Vitas-M small molecule compound

(5E)-5-(3-bromo-4-hydroxy-5-methoxybenzylidene)-1-(3-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK020796
SMILES CCOc1cccc(c1)N1C(=S)NC(=O)/C(=C\c2cc(Br)c(c(c2)OC)O)/C1=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 C20H17BrN2O5S MW 477.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN2O5S/c1-3-28-13-6-4-5-12(10-13)23-19(26)14(18(25)22-20(23)29)7-11-8-15(21)17(24)16(9-11)27-2/h4-10,24H,3H2,1-2H3,(H,22,25,29)/b14-7+
InChIKey
JUPVHHKYTIKFIB-VGOFMYFVSA-N
Synonyms

(5E)5((3BROMO4HYDROXY5METHOXYPHENYL)METHYLIDENE)1(3ETHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(3BROMO4HYDROXY5METHOXYBENZYLIDENE)1(3ETHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5((3BROMO4HYDROXY5METHOXYPHENYL)METHYLENE)1(3ETHOXYPHENYL)2THIOXO13DIHYDROPYRIMIDINE46DIONE
CCOC1=CC=CC(=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Br)O)OC)C(=O)NC2=S
CCOc1cccc(c1)N1C(=S)NC(=O)C(=Cc2cc(Br)c(c(c2)OC)O)C1=O
InChI=1SC20H17BrN2O5Sc13281364512(1013)2319(26)14(18(25)2220(23)29)711815(21)17(24)16(911)272h41024H3H212H3(H222529)b147+
MFCD02044567
STK020796
ZINC000009056446
ZINC09056446
ZINC9056446

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Available files

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