Vitas-M small molecule compound

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

Catalog ID
STK590724
SMILES [O-][N+](=O)c1cccc(c1)C(=O)[C@@H]1[C@]2(C(=O)Nc3c2ccc(c3C)Cl)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 C29H23ClN4O5 MW 542.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23ClN4O5/c1-15-20(30)12-11-19-23(15)32-27(37)29(19)25(24(35)16-6-4-7-17(14-16)34(38)39)28(22-10-5-13-33(22)29)18-8-2-3-9-21(18)31-26(28)36/h2-4,6-9,11-12,14,22,25H,5,10,13H2,1H3,(H,31,36)(H,32,37)/t22-,25-,28+,29+/m0/s1
InChIKey
HDQFFEWVVXIMCS-JMBFNUQRSA-N
Synonyms
1177832-99-3
(2S3R3S7aS)6chloro7methyl2((3nitrophenyl)carbonyl)11225677aoctahydro2Hdispiro(indole31pyrrolizine33indole)22dione
(2S3R3S7aS)6chloro7methyl2((3nitrophenyl)carbonyl)5677atetrahydrodispiro(indole31pyrrolizine33indole)22(1H1H)dione
(O)(N+)(=O)c1cccc(c1)C(=O)(C@@H)1(C@)2(C(=O)Nc3c2ccc(c3C)Cl)N2(C@H)((C@)31C(=O)Nc1c3cccc1)CCC2
1177832993
CC1=C(C=CC2=C1NC(=O)C23C(C4(C5N3CCC5)C6=CC=CC=C6NC4=O)C(=O)C7=CC(=CC=C7)(N+)(=O)(O))Cl
InChI=1SC29H23ClN4O5c11520(30)12111923(15)3227(37)29(19)25(24(35)1664717(1416)34(38)39)28(221051333(22)29)18823921(18)3126(28)36h24691112142225H51013H21H3(H3136)(H3237)t222528+29+m0s1
MFCD18245891
ZINC000101255943
ZINC101255943

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Available files

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