Vitas-M small molecule compound

(5E)-5-(3-bromo-4-hydroxybenzylidene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK092544
SMILES CN1C(=S)NC(=O)/C(=C\c2ccc(c(c2)Br)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 C12H9BrN2O3S MW 341.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9BrN2O3S/c1-15-11(18)7(10(17)14-12(15)19)4-6-2-3-9(16)8(13)5-6/h2-5,16H,1H3,(H,14,17,19)/b7-4+
InChIKey
BHLKKCLDFOTKSC-QPJJXVBHSA-N
Synonyms

(5E)5((3bromo4hydroxyphenyl)methylidene)1methyl2sulfanylidene13diazinane46dione
(5E)5(3BROMO4HYDROXYBENZYLIDENE)1METHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CN1C(=O)C(=CC2=CC(=C(C=C2)O)Br)C(=O)NC1=S
CN1C(=S)NC(=O)C(=Cc2ccc(c(c2)Br)O)C1=O
InChI=1SC12H9BrN2O3Sc11511(18)7(10(17)1412(15)19)46239(16)8(13)56h2516H1H3(H141719)b74+
MFCD04577663
STK092544
ZINC000000573025
ZINC00573025
ZINC573025

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Available files

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