Vitas-M small molecule compound

6-amino-2-{[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}pyrimidin-4(3H)-one

Catalog ID
STK239210
SMILES Nc1cc(=O)[nH]c(n1)SCC(=O)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 C13H11N3O4S MW 305.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11N3O4S/c14-11-4-12(18)16-13(15-11)21-5-8(17)7-1-2-9-10(3-7)20-6-19-9/h1-4H,5-6H2,(H3,14,15,16,18)
InChIKey
XCCFHLQVQLLROJ-UHFFFAOYSA-N
Synonyms
333746-39-7
2(2(2HBENZO(34D)13DIOXOLAN5YL)2OXOETHYLTHIO)6AMINO3HYDROPYRIMIDIN4ONE
333746397
6AMINO2((2(13BENZODIOXOL5YL)2KETOETHYL)THIO)1HPYRIMIDIN4ONE
6AMINO2((2(13BENZODIOXOL5YL)2OXOETHYL)SULFANYL)PYRIMIDIN4(3H)ONE
6AMINO2((2(13BENZODIOXOL5YL)2OXOETHYL)THIO)1HPYRIMIDIN4ONE
6AMINO2(2(13BENZODIOXOL5YL)2OXOETHYL)SULFANYL1HPYRIMIDIN4ONE
6AZANYL2(2(13BENZODIOXOL5YL)2OXIDANYLIDENEETHYL)SULFANYL1HPYRIMIDIN4ONE
C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC(=O)C=C(N3)N
InChI=1SC13H11N3O4Sc1411412(18)1613(1511)2158(17)712910(37)206199h14H56H2(H314151618)
MFCD02578559
Nc1cc(=O)(nH)c(n1)SCC(=O)c1ccc2c(c1)OCO2
ZINC000004555752
ZINC04555752
ZINC4555752

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Available files

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