Vitas-M small molecule compound

(3S,3a'R,8a'S,8b'S)-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)-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
STL530055
SMILES CCc1ccc2c(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 C26H25N3O5 MW 459.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O5/c1-2-14-5-7-17-16(12-14)26(25(32)27-17)22-21(18-4-3-9-28(18)26)23(30)29(24(22)31)15-6-8-19-20(13-15)34-11-10-33-19/h5-8,12-13,18,21-22H,2-4,9-11H2,1H3,(H,27,32)/t18-,21+,22-,26+/m0/s1
InChIKey
JOYCKYFTBWLRKL-GDNALLQQSA-N
Synonyms
957042-79-4
(3~(S)3~(a)~(R)8~(a)~(S)8~(b)~(S))2(23dihydro14benzodioxin6yl)5ethylspiro(1~(H)indole343~(a)6788~(a)8~(b)hexahydropyrrolo(34a)pyrrolizine)123trione
(3S3aR8aS8bS)2(23dihydro14benzodioxin6yl)5ethyl3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)2(23dihydrobenzo(b)(14)dioxin6yl)5ethyl6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
16402075
957042794
CCc1ccc2c(c1)(C@@)1(C(=O)N2)N2CCC(C@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc2c(c1)OCCO2
InChI=1SC26H25N3O5c1214571716(1214)26(25(32)2717)2221(1843928(18)26)23(30)29(24(22)31)15681920(1315)3411103319h581213182122H24911H21H3(H2732)t1821+2226+m0s1
MFCD06492837
ZINC000015956827
ZINC15956827

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Available files

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