Vitas-M small molecule compound

(3S,3a'R,8a'S,8b'S)-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-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
STL537155
SMILES Cc1ccc2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)OCCO2

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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 C25H23N3O5 MW 445.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O5/c1-13-4-6-16-15(11-13)25(24(31)26-16)21-20(17-3-2-8-27(17)25)22(29)28(23(21)30)14-5-7-18-19(12-14)33-10-9-32-18/h4-7,11-12,17,20-21H,2-3,8-10H2,1H3,(H,26,31)/t17-,20+,21-,25+/m0/s1
InChIKey
HOIKFIMALMGQNA-DNBVQBCISA-N
Synonyms
956974-54-2
(3~(S)3~(a)~(R)8~(a)~(S)8~(b)~(S))2(23dihydro14benzodioxin6yl)5methylspiro(1~(H)indole343~(a)6788~(a)8~(b)hexahydropyrrolo(34a)pyrrolizine)123trione
(3S3aR8aS8bS)2(23dihydro14benzodioxin6yl)5methyl3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)2(23dihydrobenzo(b)(14)dioxin6yl)5methyl6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
16400793
956974542
Cc1ccc2c(c1)(C@@)1(C(=O)N2)N2CCC(C@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc2c(c1)OCCO2
InChI=1SC25H23N3O5c113461615(1113)25(24(31)2616)2120(1732827(17)25)22(29)28(23(21)30)14571819(1214)331093218h471112172021H23810H21H3(H2631)t1720+2125+m0s1
MFCD05672027
ZINC000015955007
ZINC15955007

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Available files

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