Vitas-M small molecule compound
(1'S,2'S,3R,3a'R)-2'-{[4-(2-methylpropyl)phenyl]carbonyl}-1'-[(4-nitrophenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Catalog ID
STK567519
SMILES CC(Cc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)[N+](=O)[O-])N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1)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 C37H31N3O5 MW 597.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H31N3O5/c1-22(2)21-23-11-13-25(14-12-23)34(41)32-33(35(42)26-15-18-27(19-16-26)40(44)45)39-30-10-6-3-7-24(30)17-20-31(39)37(32)28-8-4-5-9-29(28)38-36(37)43/h3-20,22,31-33H,21H2,1-2H3,(H,38,43)/t31-,32+,33+,37-/m1/s1InChIKey
WKIVEZKDGCBOBQ-JMNGKNCGSA-NSynonyms
1212261-14-7(1S2S3R3aR)2((4(2methylpropyl)phenyl)carbonyl)1((4nitrophenyl)carbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
(1S2S3R3aR)2(4(2methylpropyl)benzoyl)1(4nitrobenzoyl)spiro(1Hindole3323adihydro1Hpyrrolo(12a)quinoline)2one
(1S2S3R3aR)2(4isobutylbenzoyl)1(4nitrobenzoyl)23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
1212261147
CC(C)CC1=CC=C(C=C1)C(=O)C2C(N3C(C24C5=CC=CC=C5NC4=O)C=CC6=CC=CC=C63)C(=O)C7=CC=C(C=C7)(N+)(=O)(O)
CC(Cc1ccc(cc1)C(=O)(C@@H)1(C@@H)(C(=O)c2ccc(cc2)(N+)(=O)(O))N2(C@@H)((C@)31C(=O)Nc1c3cccc1)C=Cc1c2cccc1)C
InChI=1SC37H31N3O5c122(2)2123111325(141223)34(41)3233(35(42)26151827(191626)40(44)45)39301063724(30)172031(39)37(32)28845929(28)3836(37)43h320223133H21H212H3(H3843)t3132+33+37m1s1
MFCD18157911
ZINC000101674045
ZINC101674045
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