Vitas-M small molecule compound
2'-(5-bromothiophen-2-yl)-2,2-dimethyl-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Catalog ID
STK543950
SMILES Brc1ccc(s1)C1=NN2C(C1)c1ccccc1OC12CCOC(C1)(C)C
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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 C20H21BrN2O2S MW 433.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21BrN2O2S/c1-19(2)12-20(9-10-24-19)23-15(13-5-3-4-6-16(13)25-20)11-14(22-23)17-7-8-18(21)26-17/h3-8,15H,9-12H2,1-2H3InChIKey
DXEFUKFKUMSOOP-UHFFFAOYSA-NSynonyms
497077-52-82(5bromothiophen2yl)22dimethyl1235610bhexahydrospiro(benzo(e)pyrazolo(15c)(13)oxazine54pyran)
2(5bromothiophen2yl)22dimethyl1235610bhexahydrospiro(pyran45pyrazolo(15c)(13)benzoxazine)
2(5BROMOTHIOPHEN2YL)22DIMETHYLSPIRO(110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE54OXANE)
497077528
CC1(CC2(CCO1)N3C(CC(=N3)C4=CC=C(S4)Br)C5=CC=CC=C5O2)C
InChI=1SC20H21BrN2O2Sc119(2)1220(9102419)2315(13534616(13)2520)1114(2223)177818(21)2617h3815H912H212H3
MFCD03299310
ZINC000009066591
ZINC000013596866
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