Vitas-M small molecule compound

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

Catalog ID
STK589368
SMILES COc1cc(cc(c1OC)OC)C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(F)cc1

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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 C31H28FN3O6 MW 557.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28FN3O6/c1-39-23-13-16(14-24(40-2)27(23)41-3)26(36)25-22-9-6-12-35(22)31(19-15-17(32)10-11-21(19)34-29(31)38)30(25)18-7-4-5-8-20(18)33-28(30)37/h4-5,7-8,10-11,13-15,22,25H,6,9,12H2,1-3H3,(H,33,37)(H,34,38)/t22-,25-,30+,31+/m0/s1
InChIKey
OGIRBWABCVNBEI-JZMUPVMCSA-N
Synonyms
1212415-57-0
(1S3R3S7aS)5fluoro1((345trimethoxyphenyl)carbonyl)11225677aoctahydro1Hdispiro(indole32pyrrolizine33indole)22dione
(1S3R3S7aS)5fluoro1((345trimethoxyphenyl)carbonyl)5677atetrahydro1Hdispiro(indole32pyrrolizine33indole)22(1H1H)dione
1212415570
COC1=CC(=CC(=C1OC)OC)C(=O)C2C3CCCN3C4(C25C6=CC=CC=C6NC5=O)C7=C(C=CC(=C7)F)NC4=O
COc1cc(cc(c1OC)OC)C(=O)(C@@H)1(C@@H)2CCCN2(C@@)2((C@)31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(F)cc1
InChI=1SC31H28FN3O6c139231316(1424(402)27(23)413)26(36)2522961235(22)31(191517(32)101121(19)3429(31)38)30(25)18745820(18)3328(30)37h4578101113152225H6912H213H3(H3337)(H3438)t222530+31+m0s1
MFCD18158357
ZINC000101671932
ZINC101671932

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Available files

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