Vitas-M small molecule compound

(1'S,3R,3'S,7a'S)-5''-chloro-1'-[(2,4-dimethoxyphenyl)carbonyl]-7''-methyl-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione

Catalog ID
STL530399
SMILES COc1cc(OC)ccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(Cl)cc1C

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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 C31H28ClN3O5 MW 558.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClN3O5/c1-16-13-17(32)14-21-26(16)34-29(38)31(21)30(20-7-4-5-8-22(20)33-28(30)37)25(23-9-6-12-35(23)31)27(36)19-11-10-18(39-2)15-24(19)40-3/h4-5,7-8,10-11,13-15,23,25H,6,9,12H2,1-3H3,(H,33,37)(H,34,38)/t23-,25-,30+,31+/m0/s1
InChIKey
RGOIEQIXJJUYKS-KDLQGFRMSA-N
Synonyms
956965-25-6
(1S3R3S7aS)5chloro1((24dimethoxyphenyl)carbonyl)7methyl11225677aoctahydro1Hdispiro(indole32pyrrolizine33indole)22dione
(1S3R3S7aS)5chloro1((24dimethoxyphenyl)carbonyl)7methyl5677atetrahydro1Hdispiro(indole32pyrrolizine33indole)22(1H1H)dione
(4butyl7methyl2oxochromen5yl)(2~(R))3(1~(H)indol3yl)2((2methylpropan2yl)oxycarbonylamino)propanoate
16405858
956965256
COc1cc(OC)ccc1C(=O)(C@@H)1(C@@H)2CCCN2(C@@)2((C@)31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(Cl)cc1C
InChI=1SC30H34N2O6c16710191626(33)36241318(2)1425(27(19)24)3728(34)23(3229(35)3830(34)5)152017312212981121(20)22h89111416172331H671015H215H3(H3235)t23m1s1
ZINC000070706045
ZINC70706045

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.