Vitas-M small molecule compound
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Catalog ID
STK985671
SMILES CCOc1ccc(cc1)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 C23H21N5O5S MW 479.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N5O5S/c1-2-31-16-6-4-15(5-7-16)28-22(30)17-12-24-27-21(17)26-23(28)34-13-20(29)25-14-3-8-18-19(11-14)33-10-9-32-18/h3-8,11-12H,2,9-10,13H2,1H3,(H,24,27)(H,25,29)InChIKey
RZKNAHVYXHFAJO-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NC4=CC5=C(C=C4)OCCO5
CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2c(c1=O)cn(nH)2
InChI=1SC23H21N5O5Sc1231166415(5716)2822(30)1712242721(17)2623(28)341320(29)2514381819(1114)331093218h381112H291013H21H3(H2427)(H2529)
MFCD18182630
N(23dihydro14benzodioxin6yl)2((5(4ethoxyphenyl)4oxo1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)acetamide
N(23dihydro14benzodioxin6yl)2((5(4ethoxyphenyl)4oxo45dihydro1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)acetamide
ZINC000051316468
ZINC51316468
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