Vitas-M small molecule compound

(3a'S,6a'R)-5'-(2-chlorobenzyl)-3'-(3,4-dihydroxybenzyl)-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
STK581886
SMILES O=C1N(Cc2ccccc2Cl)C(=O)[C@@H]2[C@H]1C(Cc1ccc(c(c1)O)O)NC12C(=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 C27H22ClN3O5 MW 503.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClN3O5/c28-17-7-3-1-5-15(17)13-31-24(34)22-19(11-14-9-10-20(32)21(33)12-14)30-27(23(22)25(31)35)16-6-2-4-8-18(16)29-26(27)36/h1-10,12,19,22-23,30,32-33H,11,13H2,(H,29,36)/t19?,22-,23+,27?/m1/s1
InChIKey
UYYOJRBRGCNQTK-OHXFUWEMSA-N
Synonyms
1014001-54-7
(3aR6aS)5((2chlorophenyl)methyl)1((34dihydroxyphenyl)methyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)5(2chlorobenzyl)3(34dihydroxybenzyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)5(2chlorobenzyl)3(34dihydroxybenzyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1014001547
C1=CC=C(C(=C1)CN2C(=O)C3C(NC4(C3C2=O)C5=CC=CC=C5NC4=O)CC6=CC(=C(C=C6)O)O)Cl
InChI=1SC27H22ClN3O5c2817731515(17)133124(34)2219(111491020(32)21(33)1214)3027(23(22)25(31)35)16624818(16)2926(27)36h11012192223303233H1113H2(H2936)t19?2223+27?m1s1
MFCD06781741
O=C1N(Cc2ccccc2Cl)C(=O)(C@@H)2(C@H)1C(Cc1ccc(c(c1)O)O)NC12C(=O)Nc2c1cccc2
ZINC000016021697
ZINC000016021700

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Available files

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