Vitas-M small molecule compound

(5E)-5-(2-bromo-5-ethoxy-4-hydroxybenzylidene)-1-(2-methylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK111161
SMILES CCOc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c2ccccc2C)c(cc1O)Br

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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 C20H17BrN2O4S MW 461.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN2O4S/c1-3-27-17-9-12(14(21)10-16(17)24)8-13-18(25)22-20(28)23(19(13)26)15-7-5-4-6-11(15)2/h4-10,24H,3H2,1-2H3,(H,22,25,28)/b13-8+
InChIKey
KFGLZGNHJUYABR-MDWZMJQESA-N
Synonyms

(5E)5((2BROMO5ETHOXY4HYDROXYPHENYL)METHYLIDENE)1(2METHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(2BROMO5ETHOXY4HYDROXYBENZYLIDENE)1(2METHYLPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=C(C=C(C(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3C)Br)O
CCOc1cc(C=C2C(=O)NC(=S)N(C2=O)c2ccccc2C)c(cc1O)Br
InChI=1SC20H17BrN2O4Sc132717912(14(21)1016(17)24)81318(25)2220(28)23(19(13)26)15754611(15)2h41024H3H212H3(H222528)b138+
MFCD05625535
ZINC000009323243
ZINC09323243
ZINC9323243

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Available files

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