Vitas-M small molecule compound

(3S,3a'R,8a'S,8b'S)-5-bromo-2'-(2,3-dihydro-1,4-benzodioxin-6-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
STL536678
SMILES Brc1ccc2c(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 C24H20BrN3O5 MW 510.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20BrN3O5/c25-12-3-5-15-14(10-12)24(23(31)26-15)20-19(16-2-1-7-27(16)24)21(29)28(22(20)30)13-4-6-17-18(11-13)33-9-8-32-17/h3-6,10-11,16,19-20H,1-2,7-9H2,(H,26,31)/t16-,19+,20-,24+/m0/s1
InChIKey
KNXKVPINDROMLS-MDTICMOCSA-N
Synonyms
956990-68-4
(3~(S)3~(a)~(R)8~(a)~(S)8~(b)~(S))5bromo2(23dihydro14benzodioxin6yl)spiro(1~(H)indole343~(a)6788~(a)8~(b)hexahydropyrrolo(34a)pyrrolizine)123trione
(3S3aR8aS8bS)5bromo2(23dihydro14benzodioxin6yl)3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)5bromo2(23dihydrobenzo(b)(14)dioxin6yl)6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
16399448
956990684
Brc1ccc2c(c1)(C@@)1(C(=O)N2)N2CCC(C@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc2c(c1)OCCO2
InChI=1SC24H20BrN3O5c2512351514(1012)24(23(31)2615)2019(1621727(16)24)21(29)28(22(20)30)13461718(1113)33983217h361011161920H1279H2(H2631)t1619+2024+m0s1
MFCD04143774
ZINC000026771741
ZINC26771741

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Available files

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