Vitas-M small molecule compound

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

Catalog ID
STK585451
SMILES COc1cc(ccc1OC)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 C30H26FN3O5 MW 527.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26FN3O5/c1-38-23-12-9-16(14-24(23)39-2)26(35)25-22-8-5-13-34(22)30(19-15-17(31)10-11-21(19)33-28(30)37)29(25)18-6-3-4-7-20(18)32-27(29)36/h3-4,6-7,9-12,14-15,22,25H,5,8,13H2,1-2H3,(H,32,36)(H,33,37)/t22-,25-,29+,30+/m0/s1
InChIKey
LBTVKRBOIFBQGZ-RRWMQESRSA-N
Synonyms
1014021-72-7
(1S3R3S7aS)1((34dimethoxyphenyl)carbonyl)5fluoro11225677aoctahydro1Hdispiro(indole32pyrrolizine33indole)22dione
(1S3R3S7aS)1((34dimethoxyphenyl)carbonyl)5fluoro5677atetrahydro1Hdispiro(indole32pyrrolizine33indole)22(1H1H)dione
1014021727
COC1=C(C=C(C=C1)C(=O)C2C3CCCN3C4(C25C6=CC=CC=C6NC5=O)C7=C(C=CC(=C7)F)NC4=O)OC
COc1cc(ccc1OC)C(=O)(C@@H)1(C@@H)2CCCN2(C@@)2((C@)31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(F)cc1
InChI=1SC30H26FN3O5c1382312916(1424(23)392)26(35)2522851334(22)30(191517(31)101121(19)3328(30)37)29(25)18634720(18)3227(29)36h346791214152225H5813H212H3(H3236)(H3337)t222529+30+m0s1
ZINC000101336264
ZINC101336264

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Available files

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