Vitas-M small molecule compound

(3S,3a'R,8a'S,8b'S)-2'-(5-chloro-2-methoxyphenyl)-5-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
STK578756
SMILES CCc1ccc2c(c1)[C@@]1(C(=O)N2)N2CCC[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/c1-3-13-6-8-16-15(11-13)25(24(32)27-16)21-20(17-5-4-10-28(17)25)22(30)29(23(21)31)18-12-14(26)7-9-19(18)33-2/h6-9,11-12,17,20-21H,3-5,10H2,1-2H3,(H,27,32)/t17-,20+,21-,25+/m0/s1
InChIKey
KERJIIWSOCCQFR-DNBVQBCISA-N
Synonyms
1013887-00-7
(3S3aR8aS8bS)2(5chloro2methoxyphenyl)5ethyl3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)2(5chloro2methoxyphenyl)5ethyl6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
(3S3aR8aS8bS)2(5chloro2methoxyphenyl)5ethylspiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
1013887007
CCC1=CC2=C(C=C1)NC(=O)C23C4C(C5N3CCC5)C(=O)N(C4=O)C6=C(C=CC(=C6)Cl)OC
CCc1ccc2c(c1)(C@@)1(C(=O)N2)N2CCC(C@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1cc(Cl)ccc1OC
InChI=1SC25H24ClN3O4c1313681615(1113)25(24(32)2716)2120(17541028(17)25)22(30)29(23(21)31)181214(26)7919(18)332h691112172021H3510H212H3(H2732)t1720+2125+m0s1
MFCD18245610
ZINC000016010265
ZINC16010265

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Available files

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