Vitas-M small molecule compound
(3a'S,6a'R)-5'-[2-(3,4-dimethoxyphenyl)ethyl]-5-fluoro-3'-(4-hydroxybenzyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Catalog ID
STL532898
SMILES COc1cc(CCN2C(=O)[C@H]3[C@@H](C2=O)C2(NC3Cc3ccc(cc3)O)C(=O)Nc3c2cc(F)cc3)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 C30H28FN3O6 MW 545.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28FN3O6/c1-39-23-10-5-17(14-24(23)40-2)11-12-34-27(36)25-22(13-16-3-7-19(35)8-4-16)33-30(26(25)28(34)37)20-15-18(31)6-9-21(20)32-29(30)38/h3-10,14-15,22,25-26,33,35H,11-13H2,1-2H3,(H,32,38)/t22?,25-,26+,30?/m1/s1InChIKey
IYZRVZXYQAVOMV-XRFLLGRSSA-NSynonyms
957024-55-4(3~(a)~(R)6~(a)~(S))5(2(34dimethoxyphenyl)ethyl)5fluoro1((4hydroxyphenyl)methyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)5(2(34dimethoxyphenyl)ethyl)5fluoro3(4hydroxybenzyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)5(34dimethoxyphenethyl)5fluoro3(4hydroxybenzyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
16405529
957024554
COc1cc(CCN2C(=O)(C@H)3(C@@H)(C2=O)C2(NC3Cc3ccc(cc3)O)C(=O)Nc3c2cc(F)cc3)ccc1OC
InChI=1SC30H28FN3O6c1392310517(1424(23)402)11123427(36)2522(13163719(35)8416)3330(26(25)28(34)37)201518(31)6921(20)3229(30)38h31014152225263335H1113H212H3(H3238)t22?2526+30?m1s1
MFCD06495384
ZINC000070704879
ZINC000070704885
Check stock
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Check stock on Vitas-MAvailable files
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