Vitas-M small molecule compound
N-(2-chlorobenzyl)-2-{[5-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Catalog ID
STK985707
SMILES CCOc1ccc(cc1)n1c(SCC(=O)NCc2ccccc2Cl)nc2c(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 C22H20ClN5O3S MW 469.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN5O3S/c1-2-31-16-9-7-15(8-10-16)28-21(30)17-12-25-27-20(17)26-22(28)32-13-19(29)24-11-14-5-3-4-6-18(14)23/h3-10,12H,2,11,13H2,1H3,(H,24,29)(H,25,27)InChIKey
UICKAOFQECQOID-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NCC4=CC=CC=C4Cl
CCOc1ccc(cc1)n1c(SCC(=O)NCc2ccccc2Cl)nc2c(c1=O)cn(nH)2
InChI=1SC22H20ClN5O3Sc1231169715(81016)2821(30)1712252720(17)2622(28)321319(29)241114534618(14)23h31012H21113H21H3(H2429)(H2527)
MFCD18182665
N((2chlorophenyl)methyl)2((5(4ethoxyphenyl)4oxo1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)acetamide
N(2chlorobenzyl)2((5(4ethoxyphenyl)4oxo45dihydro1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)acetamide
ZINC000051316543
ZINC51316543
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