Vitas-M small molecule compound
2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Catalog ID
STL346943
SMILES O=C(Nc1ccc2c(c1)OCCO2)CSc1ncnc2c1cnn2c1ccc(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 C21H16ClN5O3S MW 453.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClN5O3S/c22-13-1-4-15(5-2-13)27-20-16(10-25-27)21(24-12-23-20)31-11-19(28)26-14-3-6-17-18(9-14)30-8-7-29-17/h1-6,9-10,12H,7-8,11H2,(H,26,28)InChIKey
VQDOFTRDKIIDAN-UHFFFAOYSA-NSynonyms
573929-93-82((1(4chlorophenyl)1Hpyrazolo(34d)pyrimidin4yl)sulfanyl)N(23dihydro14benzodioxin6yl)acetamide
2((1(4CHLOROPHENYL)1HPYRAZOLO(34D)PYRIMIDIN4YL)THIO)N(23DIHYDROBENZO(B)(14)DIOXIN6YL)ACETAMIDE
2(1(4CHLOROPHENYL)PYRAZOLO(34D)PYRIMIDIN4YL)SULFANYLN(23DIHYDRO14BENZODIOXIN6YL)ACETAMIDE
573929938
C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC=NC4=C3C=NN4C5=CC=C(C=C5)Cl
InChI=1SC21H16ClN5O3Sc22131415(5213)272016(102527)21(24122320)311119(28)2614361718(914)30872917h1691012H7811H2(H2628)
MFCD04019461
ZINC000002450018
ZINC02450018
ZINC2450018
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