Vitas-M small molecule compound

(5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK095995
SMILES CN1C(=S)NC(=O)/C(=C\c2cc3OCOc3cc2Br)/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 C13H9BrN2O4S MW 369.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9BrN2O4S/c1-16-12(18)7(11(17)15-13(16)21)2-6-3-9-10(4-8(6)14)20-5-19-9/h2-4H,5H2,1H3,(H,15,17,21)/b7-2+
InChIKey
VIZYPRSHZRCELF-FARCUNLSSA-N
Synonyms

(5E)5((6BROMO13BENZODIOXOL5YL)METHYLIDENE)1METHYL2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5((6BROMO13BENZODIOXOL5YL)METHYLIDENE)1METHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5((6BROMO(2HBENZO(D)13DIOXOLAN5YL))METHYLENE)1METHYL2THIOXO13DIHYDROPYRIMIDINE46DIONE
CN1C(=O)C(=CC2=CC3=C(C=C2Br)OCO3)C(=O)NC1=S
CN1C(=S)NC(=O)C(=Cc2cc3OCOc3cc2Br)C1=O
InChI=1SC13H9BrN2O4Sc11612(18)7(11(17)1513(16)21)263910(48(6)14)205199h24H5H21H3(H151721)b72+
MFCD03228525
STK095995
ZINC000004525937
ZINC04525937
ZINC4525937

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Available files

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