Vitas-M small molecule compound

(3S,3a'R,6a'S)-3'-(1H-indol-3-ylmethyl)-5'-(tetrahydrofuran-2-ylmethyl)-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
STL533715
SMILES O=C1N(CC2CCCO2)C(=O)[C@H]2[C@@H]1C(Cc1c[nH]c3c1cccc3)N[C@]12C(=O)Nc2c1cccc2

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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 C27H26N4O4 MW 470.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O4/c32-24-22-21(12-15-13-28-19-9-3-1-7-17(15)19)30-27(18-8-2-4-10-20(18)29-26(27)34)23(22)25(33)31(24)14-16-6-5-11-35-16/h1-4,7-10,13,16,21-23,28,30H,5-6,11-12,14H2,(H,29,34)/t16?,21?,22-,23+,27+/m0/s1
InChIKey
MEFZBYYTEFJSPO-GDJFUATKSA-N
Synonyms
956991-90-5
(1S3aR6aS)3((1Hindol3yl)methyl)5((tetrahydrofuran2yl)methyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3~(S)3~(a)~(S)6~(a)~(R))1(1~(H)indol3ylmethyl)5(oxolan2ylmethyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3S3aR6aS)3(1Hindol3ylmethyl)5(tetrahydrofuran2ylmethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
16406357
956991905
InChI=1SC27H26N4O4c32242221(1215132819931717(15)19)3027(188241020(18)2926(27)34)23(22)25(33)31(24)141665113516h14710131621232830H56111214H2(H2934)t16?21?2223+27+m0s1
MFCD07637612
O=C1N(CC2CCCO2)C(=O)(C@H)2(C@@H)1C(Cc1c(nH)c3c1cccc3)N(C@)12C(=O)Nc2c1cccc2
ZINC000016026214
ZINC000020758544

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Available files

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