Vitas-M small molecule compound

(3S,3a'R,8a'S,8b'S)-2'-(5-chloro-2-methoxyphenyl)-7-ethyl-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
STK584580
SMILES CCc1cccc2c1NC(=O)[C@]12N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cc(Cl)ccc1OC

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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 C25H24ClN3O4 MW 465.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24ClN3O4/c1-3-13-6-4-7-15-21(13)27-24(32)25(15)20-19(16-8-5-11-28(16)25)22(30)29(23(20)31)17-12-14(26)9-10-18(17)33-2/h4,6-7,9-10,12,16,19-20H,3,5,8,11H2,1-2H3,(H,27,32)/t16-,19+,20-,25+/m0/s1
InChIKey
QQXCKEPALCQHTB-KHTISZTLSA-N
Synonyms
1013886-57-1
(3S3aR8aS8bS)2(5chloro2methoxyphenyl)7ethyl3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)2(5chloro2methoxyphenyl)7ethyl6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
(3S3aR8aS8bS)2(5chloro2methoxyphenyl)7ethylspiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
1013886571
CCC1=CC=CC2=C1NC(=O)C23C4C(C5N3CCC5)C(=O)N(C4=O)C6=C(C=CC(=C6)Cl)OC
CCc1cccc2c1NC(=O)(C@)12N2CCC(C@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1cc(Cl)ccc1OC
InChI=1SC25H24ClN3O4c13136471521(13)2724(32)25(15)2019(16851128(16)25)22(30)29(23(20)31)171214(26)91018(17)332h46791012161920H35811H212H3(H2732)t1619+2025+m0s1
MFCD18245749
ZINC000016011448
ZINC16011448

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Available files

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