Vitas-M small molecule compound
1-benzyl-9'-bromo-2'-(4-methylphenyl)-1',10b'-dihydrospiro[indole-3,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2(1H)-one
Catalog ID
STL181392
SMILES Brc1ccc2c(c1)C1CC(=NN1C1(O2)C(=O)N(c2c1cccc2)Cc1ccccc1)c1ccc(cc1)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 C31H24BrN3O2 MW 550.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H24BrN3O2/c1-20-11-13-22(14-12-20)26-18-28-24-17-23(32)15-16-29(24)37-31(35(28)33-26)25-9-5-6-10-27(25)34(30(31)36)19-21-7-3-2-4-8-21/h2-17,28H,18-19H2,1H3InChIKey
FUZCUGRTFDHOTF-UHFFFAOYSA-NSynonyms
1benzyl9bromo2(4methylphenyl)110bdihydrospiro(indole35pyrazolo(15c)(13)benzoxazin)2(1H)one
1BENZYL9BROMO2(4METHYLPHENYL)SPIRO(110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE53INDOLE)2ONE
CC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Br)OC35C6=CC=CC=C6N(C5=O)CC7=CC=CC=C7
InChI=1SC31H24BrN3O2c120111322(141220)261828241723(32)151629(24)3731(35(28)3326)259561027(25)34(30(31)36)19217324821h21728H1819H21H3
MFCD02609358
ZINC000098045923
ZINC000103151153
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