Vitas-M small molecule compound

(3a'S,6a'R)-5'-cyclopentyl-3'-(3,4-dihydroxybenzyl)-5-methyl-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
STK575698
SMILES Cc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)C1CCCC1)Cc1ccc(c(c1)O)O)C(=O)N2

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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 C26H27N3O5 MW 461.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O5/c1-13-6-8-17-16(10-13)26(25(34)27-17)22-21(23(32)29(24(22)33)15-4-2-3-5-15)18(28-26)11-14-7-9-19(30)20(31)12-14/h6-10,12,15,18,21-22,28,30-31H,2-5,11H2,1H3,(H,27,34)/t18?,21-,22+,26?/m1/s1
InChIKey
ZLTOLWCUPRACIL-OJXBHUFOSA-N
Synonyms
1014001-29-6
(3aR6aS)5cyclopentyl1((34dihydroxyphenyl)methyl)5methylspiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)5cyclopentyl3(34dihydroxybenzyl)5methyl33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)5cyclopentyl3(34dihydroxybenzyl)5methyl3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1014001296
CC1=CC2=C(C=C1)NC(=O)C23C4C(C(N3)CC5=CC(=C(C=C5)O)O)C(=O)N(C4=O)C6CCCC6
Cc1ccc2c(c1)C1(NC((C@@H)3(C@H)1C(=O)N(C3=O)C1CCCC1)Cc1ccc(c(c1)O)O)C(=O)N2
InChI=1SC26H27N3O5c113681716(1013)26(25(34)2717)2221(23(32)29(24(22)33)15423515)18(2826)11147919(30)20(31)1214h6101215182122283031H2511H21H3(H2734)t18?2122+26?m1s1
MFCD06786796
ZINC000016022132
ZINC000016022135

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Available files

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