Vitas-M small molecule compound

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

Catalog ID
STK514409
SMILES O=C1NC(=S)NC(=O)C1=Cc1cc2OCOc2cc1Cl

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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 C12H7ClN2O4S MW 310.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H7ClN2O4S/c13-7-3-9-8(18-4-19-9)2-5(7)1-6-10(16)14-12(20)15-11(6)17/h1-3H,4H2,(H2,14,15,16,17,20)
InChIKey
GODVXNYWVFKCJX-UHFFFAOYSA-N
Synonyms

5((6CHLORO13BENZODIOXOL5YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
5((6chloro13benzodioxol5yl)methylidene)2thioxodihydropyrimidine46(1H5H)dione
C1OC2=C(O1)C=C(C(=C2)C=C3C(=O)NC(=S)NC3=O)Cl
InChI=1SC12H7ClN2O4Sc137398(184199)25(7)1610(16)1412(20)1511(6)17h13H4H2(H21415161720)
MFCD00298773
ZINC000000432702
ZINC00432702
ZINC432702

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.