Vitas-M small molecule compound
2-hydroxy-3-(3-methoxyphenyl)-6-oxo-5-(thiophen-2-ylmethyl)-3,6-dihydropyrimidin-4-olate
Catalog ID
STL057964
SMILES COc1cccc(c1)n1c(O)nc(=O)c(c1[O-])Cc1cccs1
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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 C16H13N2O4S MW 329.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O4S/c1-22-11-5-2-4-10(8-11)18-15(20)13(14(19)17-16(18)21)9-12-6-3-7-23-12/h2-8,20H,9H2,1H3,(H,17,19,21)/p-1InChIKey
XSWKKHQQIRLAKD-UHFFFAOYSA-MSynonyms
2hydroxy3(3methoxyphenyl)6oxo5(thiophen2ylmethyl)36dihydropyrimidin4olate
3(3METHOXYPHENYL)26DIOXO5(THIOPHEN2YLMETHYL)PYRIMIDIN4OLATE
COC1=CC=CC(=C1)N2C(=C(C(=O)NC2=O)CC3=CC=CS3)(O)
COc1cccc(c1)n1c(O)nc(=O)c(c1(O))Cc1cccs1
InChI=1SC16H14N2O4Sc1221152410(811)1815(20)13(14(19)1716(18)21)9126372312h2820H9H21H3(H171921)p1
ZINC000005323002
ZINC05323002
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