Vitas-M small molecule compound

4-(1,3-benzodioxol-5-yl)pyrimidine-2-thiol

Catalog ID
STK871723
SMILES Sc1nccc(n1)c1ccc2c(c1)OCO2

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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 C11H8N2O2S MW 232.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H8N2O2S/c16-11-12-4-3-8(13-11)7-1-2-9-10(5-7)15-6-14-9/h1-5H,6H2,(H,12,13,16)
InChIKey
NPHCOJHYHKQFHI-UHFFFAOYSA-N
Synonyms
924825-30-9
4(13benzodioxol5yl)pyrimidine2thiol
4(2HBENZO(34D)13DIOXOLEN5YL)PYRIMIDINE2THIOL
6(13benzodioxol5yl)1Hpyrimidine2thione
924825309
C1OC2=C(O1)C=C(C=C2)C3=CC=NC(=S)N3
InChI=1SC11H8N2O2Sc161112438(1311)712910(57)156149h15H6H2(H121316)
MFCD09760704
ZINC000036626592
ZINC36626592

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Available files

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