Vitas-M small molecule compound
5-(6-bromo-1,3-benzodioxol-5-yl)-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Catalog ID
STK522048
SMILES Brc1cc2OCOc2cc1C1Oc2ccccc2C2N1N=C(C2)c1cccs1
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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 C21H15BrN2O3S MW 455.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15BrN2O3S/c22-14-9-19-18(25-11-26-19)8-13(14)21-24-16(12-4-1-2-5-17(12)27-21)10-15(23-24)20-6-3-7-28-20/h1-9,16,21H,10-11H2InChIKey
MPUBZHQSLQNURA-UHFFFAOYSA-NSynonyms
5(6bromo13benzodioxol5yl)2(thiophen2yl)110bdihydropyrazolo(15c)(13)benzoxazine
5(6bromo13benzodioxol5yl)2thiophen2yl510bdihydro1Hpyrazolo(15c)(13)benzoxazine
C1C2C3=CC=CC=C3OC(N2N=C1C4=CC=CS4)C5=CC6=C(C=C5Br)OCO6
InChI=1SC21H15BrN2O3Sc221491918(25112619)813(14)212416(12412517(12)2721)1015(2324)206372820h191621H1011H2
MFCD13370940
ZINC000009593082
ZINC000015016733
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