Vitas-M small molecule compound

2'-(2-methyl-5-nitrophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H,12H-spiro[indolo[2,1-b]quinazoline-6,4'-pyrrolo[3,4-a]pyrrolizine]-1',3',12(2'H)-trione

Catalog ID
STL350408
SMILES O=C1N(C(=O)C2C1C1(N3C2CCC3)c2nc3ccccc3c(=O)n2c2c1cccc2)c1cc(ccc1C)[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 C30H23N5O5 MW 533.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23N5O5/c1-16-12-13-17(35(39)40)15-23(16)33-27(37)24-22-11-6-14-32(22)30(25(24)28(33)38)19-8-3-5-10-21(19)34-26(36)18-7-2-4-9-20(18)31-29(30)34/h2-5,7-10,12-13,15,22,24-25H,6,11,14H2,1H3
InChIKey
XAZHWDYKSSFUII-UHFFFAOYSA-N
Synonyms

(3aS8bR)2(2methyl5nitrophenyl)6788atetrahydro1H12Hspiro(indolo(21b)quinazoline64pyrrolo(34a)pyrrolizine)1312(2H3aH8bH)trione
2(2methyl5nitrophenyl)3a6788a8bhexahydro1H12Hspiro(indolo(21b)quinazoline64pyrrolo(34a)pyrrolizine)1312(2H)trione
2(2methyl5nitrophenyl)spiro(3a6788a8bhexahydropyrrolo(34a)pyrrolizine46indolo(21b)quinazoline)1312trione
CC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C4CCCN4C5(C3C2=O)C6=CC=CC=C6N7C5=NC8=CC=CC=C8C7=O
InChI=1SC30H23N5O5c116121317(35(39)40)1523(16)3327(37)24221161432(22)30(25(24)28(33)38)198351021(19)3426(36)18724920(18)3129(30)34h25710121315222425H61114H21H3
MFCD28032344
O=C1N(C(=O)(C@@H)2(C@H)1C1(N3C2CCC3)c2nc3ccccc3c(=O)n2c2c1cccc2)c1cc(ccc1C)(N+)(=O)(O)
O=C1N(C(=O)C2C1C1(N3C2CCC3)c2nc3ccccc3c(=O)n2c2c1cccc2)c1cc(ccc1C)(N+)(=O)(O)
ZINC000101360171
ZINC000245312790

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Available files

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