Vitas-M small molecule compound
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide
Catalog ID
STK985789
SMILES O=C(Nc1ccc2c(c1)OCCO2)CSc1nc2[nH]ncc2c(=O)n1c1ccccc1
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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 C21H17N5O4S MW 435.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O4S/c27-18(23-13-6-7-16-17(10-13)30-9-8-29-16)12-31-21-24-19-15(11-22-25-19)20(28)26(21)14-4-2-1-3-5-14/h1-7,10-11H,8-9,12H2,(H,22,25)(H,23,27)InChIKey
SRJAMQMGSIXOIS-UHFFFAOYSA-NSynonyms
309943-34-8309943348
C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC4=C(C=NN4)C(=O)N3C5=CC=CC=C5
InChI=1SC21H17N5O4Sc2718(2313671617(1013)30982916)123121241915(11222519)20(28)26(21)144213514h171011H8912H2(H2225)(H2327)
MFCD02111712
N(23DIHYDRO14BENZODIOXIN6YL)2((4OXO5PHENYL1HPYRAZOLO(34D)PYRIMIDIN6YL)SULFANYL)ACETAMIDE
N(23dihydro14benzodioxin6yl)2((4oxo5phenyl45dihydro1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)acetamide
N(23DIHYDROBENZO(B)(14)DIOXIN6YL)2((4OXO5PHENYL45DIHYDRO1HPYRAZOLO(34D)PYRIMIDIN6YL)THIO)ACETAMIDE
O=C(Nc1ccc2c(c1)OCCO2)CSc1nc2(nH)ncc2c(=O)n1c1ccccc1
ZINC000018036685
ZINC18036685
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