Vitas-M small molecule compound
(3a'R,6a'S)-5'-(2-methoxy-5-nitrophenyl)-3'-(2-methylpropyl)-3a',6a'-dihydro-2'H,12H-spiro[indolo[2,1-b]quinazoline-6,1'-pyrrolo[3,4-c]pyrrole]-4',6',12(3'H,5'H)-trione
Catalog ID
STL569913
SMILES COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)C1(NC2CC(C)C)c2nc3ccccc3c(=O)n2c2c1cccc2)[N+](=O)[O-]
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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 C31H27N5O6 MW 565.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N5O6/c1-16(2)14-21-25-26(29(39)34(28(25)38)23-15-17(36(40)41)12-13-24(23)42-3)31(33-21)19-9-5-7-11-22(19)35-27(37)18-8-4-6-10-20(18)32-30(31)35/h4-13,15-16,21,25-26,33H,14H2,1-3H3/t21?,25-,26+,31?/m0/s1InChIKey
ZKXYNCIHUQVWRQ-YPYQSJKRSA-NSynonyms
1177466-74-8(3aR6aS)3isobutyl5(2methoxy5nitrophenyl)33adihydro2H12Hspiro(indolo(21b)quinazoline61pyrrolo(34c)pyrrole)4612(5H6aH)trione
(3aR6aS)5(2methoxy5nitrophenyl)3(2methylpropyl)3a6adihydro2H12Hspiro(indolo(21b)quinazoline61pyrrolo(34c)pyrrole)4612(3H5H)trione
(3aS6aR)5(2methoxy5nitrophenyl)1(2methylpropyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole36indolo(21b)quinazoline)4612trione
1177466748
17601019
COc1ccc(cc1N1C(=O)(C@@H)2(C@H)(C1=O)C1(NC2CC(C)C)c2nc3ccccc3c(=O)n2c2c1cccc2)(N+)(=O)(O)
InChI=1SC31H27N5O6c116(2)14212526(29(39)34(28(25)38)231517(36(40)41)121324(23)423)31(3321)199571122(19)3527(37)188461020(18)3230(31)35h413151621252633H14H213H3t21?2526+31?m0s1
ZINC000101506597
ZINC000101506600
Check stock
See real-time availability and sample size for STL569913 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.