Vitas-M small molecule compound
5-(3-chloro-4-methoxyphenyl)-6-thioxo-1,5,6,7-tetrahydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Catalog ID
STK880203
SMILES COc1ccc(cc1Cl)n1c(=S)[nH]c2c(c1=O)cn[nH]2
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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 C12H9ClN4O2S MW 308.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9ClN4O2S/c1-19-9-3-2-6(4-8(9)13)17-11(18)7-5-14-16-10(7)15-12(17)20/h2-5H,1H3,(H2,14,15,16,20)InChIKey
VSPAJZJVGXVROM-UHFFFAOYSA-NSynonyms
5(3chloro4methoxyphenyl)6sulfanylidene12dihydropyrazolo(34d)pyrimidin4one
5(3chloro4methoxyphenyl)6thioxo1567tetrahydro4Hpyrazolo(34d)pyrimidin4one
COC1=C(C=C(C=C1)N2C(=O)C3=CNNC3=NC2=S)Cl
COc1ccc(cc1Cl)n1c(=S)(nH)c2c(c1=O)cn(nH)2
InChI=1SC12H9ClN4O2Sc1199326(48(9)13)1711(18)75141610(7)1512(17)20h25H1H3(H214151620)
MFCD14703394
ZINC000040478797
ZINC40478797
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