Vitas-M small molecule compound
2-{[5-(3-chloro-4-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(furan-2-ylmethyl)acetamide
Catalog ID
STK985761
SMILES COc1ccc(cc1Cl)n1c(SCC(=O)NCc2ccco2)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 C19H16ClN5O4S MW 445.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16ClN5O4S/c1-28-15-5-4-11(7-14(15)20)25-18(27)13-9-22-24-17(13)23-19(25)30-10-16(26)21-8-12-3-2-6-29-12/h2-7,9H,8,10H2,1H3,(H,21,26)(H,22,24)InChIKey
FBQQOPVMTXSZRE-UHFFFAOYSA-NSynonyms
2((5(3chloro4methoxyphenyl)4oxo1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)N(furan2ylmethyl)acetamide2((5(3chloro4methoxyphenyl)4oxo45dihydro1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)N(furan2ylmethyl)acetamide
COC1=C(C=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NCC4=CC=CO4)Cl
COc1ccc(cc1Cl)n1c(SCC(=O)NCc2ccco2)nc2c(c1=O)cn(nH)2
Registry IDs
MFCD18182719ZINC000051316642
ZINC51316642
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