Vitas-M small molecule compound
6-(4-chlorobenzyl)-2-ethyl-5-thioxo-2,4,5,6-tetrahydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Catalog ID
STL134545
SMILES CCn1cc2c(n1)c(=O)n(c(=S)[nH]2)Cc1ccc(cc1)Cl
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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 C14H13ClN4OS MW 320.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13ClN4OS/c1-2-18-8-11-12(17-18)13(20)19(14(21)16-11)7-9-3-5-10(15)6-4-9/h3-6,8H,2,7H2,1H3,(H,16,21)InChIKey
GVFSCIFTBWFKFY-UHFFFAOYSA-NSynonyms
6((4chlorophenyl)methyl)2ethyl5sulfanylidene4Hpyrazolo(43d)pyrimidin7one
6(4chlorobenzyl)2ethyl5thioxo2456tetrahydro7Hpyrazolo(43d)pyrimidin7one
CCN1C=C2C(=N1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)Cl
CCn1cc2c(n1)c(=O)n(c(=S)(nH)2)Cc1ccc(cc1)Cl
InChI=1SC14H13ClN4OSc121881112(1718)13(20)19(14(21)1611)793510(15)649h368H27H21H3(H1621)
MFCD20754062
ZINC000067341777
ZINC67341777
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