Vitas-M small molecule compound
3-benzyl-8-bromo-5'-methyl-2'-phenyl-2,3,4,4a-tetrahydro-1H,6H-spiro[pyrazino[1,2-a]quinoline-5,4'-pyrazol]-3'(2'H)-one
Catalog ID
STL437339
SMILES Brc1ccc2c(c1)CC1(C3N2CCN(C3)Cc2ccccc2)C(=NN(C1=O)c1ccccc1)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 C28H27BrN4O MW 515.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27BrN4O/c1-20-28(27(34)33(30-20)24-10-6-3-7-11-24)17-22-16-23(29)12-13-25(22)32-15-14-31(19-26(28)32)18-21-8-4-2-5-9-21/h2-13,16,26H,14-15,17-19H2,1H3InChIKey
SAVSFDPMZIGHSU-UHFFFAOYSA-NSynonyms
3benzyl8bromo5methyl2phenyl2344atetrahydro1H6Hspiro(pyrazino(12a)quinoline54pyrazol)3(2H)one
3benzyl8bromo5methyl2phenylspiro(244a6tetrahydro1Hpyrazino(12a)quinoline54pyrazole)3one
CC1=NN(C(=O)C12CC3=C(C=CC(=C3)Br)N4C2CN(CC4)CC5=CC=CC=C5)C6=CC=CC=C6
InChI=1SC28H27BrN4Oc12028(27(34)33(3020)24106371124)17221623(29)121325(22)32151431(1926(28)32)18218425921h2131626H14151719H21H3
MFCD09992082
ZINC000025184571
ZINC000103405417
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