Vitas-M small molecule compound

(3S,3a'R,8a'S,8b'S)-7-ethyl-2'-(naphthalen-2-yl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione

Catalog ID
STK580061
SMILES CCc1cccc2c1NC(=O)[C@]12N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)cccc2

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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 C28H25N3O3 MW 451.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O3/c1-2-16-9-5-10-20-24(16)29-27(34)28(20)23-22(21-11-6-14-30(21)28)25(32)31(26(23)33)19-13-12-17-7-3-4-8-18(17)15-19/h3-5,7-10,12-13,15,21-23H,2,6,11,14H2,1H3,(H,29,34)/t21-,22+,23-,28+/m0/s1
InChIKey
CXVXKPKTULILJJ-WYNJNVBPSA-N
Synonyms
1013869-21-0
(3S3aR8aS8bS)7ethyl2(naphthalen2yl)3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)7ethyl2(naphthalen2yl)6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
(3S3aR8aS8bS)7ethyl2naphthalen2ylspiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
1013869210
CCC1=CC=CC2=C1NC(=O)C23C4C(C5N3CCC5)C(=O)N(C4=O)C6=CC7=CC=CC=C7C=C6
CCc1cccc2c1NC(=O)(C@)12N2CCC(C@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc2c(c1)cccc2
InChI=1SC28H25N3O3c121695102024(16)2927(34)28(20)2322(211161430(21)28)25(32)31(26(23)33)19131217734818(17)1519h357101213152123H261114H21H3(H2934)t2122+2328+m0s1
MFCD18245638
ZINC000016009827
ZINC16009827

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Available files

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