Vitas-M small molecule compound

(2'S,3R,3'S,7a'S)-6'',7''-dimethyl-2'-[(3-nitrophenyl)carbonyl]-5',6',7',7a'-tetrahydrodispiro[indole-3,1'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione

Catalog ID
STK598688
SMILES [O-][N+](=O)c1cccc(c1)C(=O)[C@@H]1[C@]2(C(=O)Nc3c2ccc(c3C)C)N2[C@H]([C@]31C(=O)Nc1c3cccc1)CCC2

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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 C30H26N4O5 MW 522.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N4O5/c1-16-12-13-21-24(17(16)2)32-28(37)30(21)26(25(35)18-7-5-8-19(15-18)34(38)39)29(23-11-6-14-33(23)30)20-9-3-4-10-22(20)31-27(29)36/h3-5,7-10,12-13,15,23,26H,6,11,14H2,1-2H3,(H,31,36)(H,32,37)/t23-,26-,29+,30+/m0/s1
InChIKey
NGFOLCMPKJGNRL-FKPFRUIKSA-N
Synonyms
1177837-07-8
(2S3R3S7aS)67dimethyl2((3nitrophenyl)carbonyl)11225677aoctahydro2Hdispiro(indole31pyrrolizine33indole)22dione
(2S3R3S7aS)67dimethyl2((3nitrophenyl)carbonyl)5677atetrahydrodispiro(indole31pyrrolizine33indole)22(1H1H)dione
(O)(N+)(=O)c1cccc(c1)C(=O)(C@@H)1(C@)2(C(=O)Nc3c2ccc(c3C)C)N2(C@H)((C@)31C(=O)Nc1c3cccc1)CCC2
1177837078
CC1=C(C2=C(C=C1)C3(C(C4(C5N3CCC5)C6=CC=CC=C6NC4=O)C(=O)C7=CC(=CC=C7)(N+)(=O)(O))C(=O)N2)C
InChI=1SC30H26N4O5c11612132124(17(16)2)3228(37)30(21)26(25(35)1875819(1518)34(38)39)29(231161433(23)30)209341022(20)3127(29)36h357101213152326H61114H212H3(H3136)(H3237)t232629+30+m0s1
MFCD18246097
ZINC000016012234
ZINC16012234

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Available files

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