Vitas-M small molecule compound

(3aS,9bR)-2-benzyl-8-(4-nitrobenzyl)-4-[(4-nitrophenyl)carbonyl]-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione

Catalog ID
STL051238
SMILES O=C(C1N2C=CC(=CC2[C@H]2[C@@H]1C(=O)N(C2=O)Cc1ccccc1)Cc1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[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 C31H24N4O7 MW 564.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H24N4O7/c36-29(22-8-12-24(13-9-22)35(41)42)28-27-26(30(37)33(31(27)38)18-20-4-2-1-3-5-20)25-17-21(14-15-32(25)28)16-19-6-10-23(11-7-19)34(39)40/h1-15,17,25-28H,16,18H2/t25?,26-,27-,28?/m0/s1
InChIKey
JNIHNHHTMVBUCU-WKTGJHSFSA-N
Synonyms

(3aS9bR)2benzyl4(4nitrobenzoyl)8((4nitrophenyl)methyl)3a49a9btetrahydropyrrolo(34a)indolizine13dione
(3aS9bR)2benzyl4(4nitrobenzoyl)8(4nitrobenzyl)3a49a9btetrahydro1Hpyrrolo(34a)indolizine13(2H)dione
(3aS9bR)2benzyl8(4nitrobenzyl)4((4nitrophenyl)carbonyl)3a49a9btetrahydro1Hpyrrolo(34a)indolizine13(2H)dione
C1=CC=C(C=C1)CN2C(=O)C3C4C=C(C=CN4C(C3C2=O)C(=O)C5=CC=C(C=C5)(N+)(=O)(O))CC6=CC=C(C=C6)(N+)(=O)(O)
InChI=1SC31H24N4O7c3629(2281224(13922)35(41)42)282726(30(37)33(31(27)38)18204213520)251721(141532(25)28)161961023(11719)34(39)40h115172528H1618H2t25?262728?m0s1
MFCD18249381
O=C(C1N2C=CC(=CC2(C@H)2(C@@H)1C(=O)N(C2=O)Cc1ccccc1)Cc1ccc(cc1)(N+)(=O)(O))c1ccc(cc1)(N+)(=O)(O)
ZINC000001304453
ZINC000230098486

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Available files

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