Vitas-M small molecule compound

(3a'S,6a'R)-5'-cyclopentyl-3'-(3,4-dihydroxybenzyl)-6,7-dimethyl-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
STK596901
SMILES O=C1N(C2CCCC2)C(=O)[C@@H]2[C@H]1C(Cc1ccc(c(c1)O)O)NC12C(=O)Nc2c1ccc(c2C)C

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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 C27H29N3O5 MW 475.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O5/c1-13-7-9-17-23(14(13)2)28-26(35)27(17)22-21(24(33)30(25(22)34)16-5-3-4-6-16)18(29-27)11-15-8-10-19(31)20(32)12-15/h7-10,12,16,18,21-22,29,31-32H,3-6,11H2,1-2H3,(H,28,35)/t18?,21-,22+,27?/m1/s1
InChIKey
TXDFHSXTKSUUGO-IBDCGYAUSA-N
Synonyms
1014020-91-7
(3aR6aS)5cyclopentyl1((34dihydroxyphenyl)methyl)67dimethylspiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)5cyclopentyl3(34dihydroxybenzyl)67dimethyl33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)5cyclopentyl3(34dihydroxybenzyl)67dimethyl3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1014020917
CC1=C(C2=C(C=C1)C3(C4C(C(N3)CC5=CC(=C(C=C5)O)O)C(=O)N(C4=O)C6CCCC6)C(=O)N2)C
InChI=1SC27H29N3O5c113791723(14(13)2)2826(35)27(17)2221(24(33)30(25(22)34)16534616)18(2927)111581019(31)20(32)1215h7101216182122293132H3611H212H3(H2835)t18?2122+27?m1s1
MFCD06789694
O=C1N(C2CCCC2)C(=O)(C@@H)2(C@H)1C(Cc1ccc(c(c1)O)O)NC12C(=O)Nc2c1ccc(c2C)C
ZINC000016024529
ZINC000016024535

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Available files

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