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-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Catalog ID
STK985733
SMILES COc1ccc(cc1Cl)n1c(SCC(=O)Nc2ccc3c(c2)OCCO3)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 C22H18ClN5O5S MW 499.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClN5O5S/c1-31-16-5-3-13(9-15(16)23)28-21(30)14-10-24-27-20(14)26-22(28)34-11-19(29)25-12-2-4-17-18(8-12)33-7-6-32-17/h2-5,8-10H,6-7,11H2,1H3,(H,24,27)(H,25,29)InChIKey
QJQFXYHUXMZQSC-UHFFFAOYSA-NSynonyms
2((5(3chloro4methoxyphenyl)4oxo1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)N(23dihydro14benzodioxin6yl)acetamide
2((5(3chloro4methoxyphenyl)4oxo45dihydro1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)N(23dihydro14benzodioxin6yl)acetamide
COC1=C(C=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NC4=CC5=C(C=C4)OCCO5)Cl
COc1ccc(cc1Cl)n1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2c(c1=O)cn(nH)2
InChI=1SC22H18ClN5O5Sc131165313(915(16)23)2821(30)1410242720(14)2622(28)341119(29)2512241718(812)33763217h25810H6711H21H3(H2427)(H2529)
MFCD18182691
ZINC000051316586
ZINC51316586
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