Vitas-M small molecule compound
(3a'S,6a'R)-5'-benzyl-3'-(3,4-dihydroxybenzyl)-5-ethyl-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
STL529606
SMILES CCc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)Cc1ccccc1)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 C29H27N3O5 MW 497.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O5/c1-2-16-8-10-20-19(12-16)29(28(37)30-20)25-24(21(31-29)13-18-9-11-22(33)23(34)14-18)26(35)32(27(25)36)15-17-6-4-3-5-7-17/h3-12,14,21,24-25,31,33-34H,2,13,15H2,1H3,(H,30,37)/t21?,24-,25+,29?/m1/s1InChIKey
ONEXPVCGLIADDB-BUHLBGKYSA-NSynonyms
957020-73-4(3~(a)~(R)6~(a)~(S))5benzyl1((34dihydroxyphenyl)methyl)5ethylspiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)5benzyl3(34dihydroxybenzyl)5ethyl33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)5benzyl3(34dihydroxybenzyl)5ethyl3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
16404327
957020734
CCc1ccc2c(c1)C1(NC((C@@H)3(C@H)1C(=O)N(C3=O)Cc1ccccc1)Cc1ccc(c(c1)O)O)C(=O)N2
InChI=1SC29H27N3O5c12168102019(1216)29(28(37)3020)2524(21(3129)131891122(33)23(34)1418)26(35)32(27(25)36)15176435717h31214212425313334H21315H21H3(H3037)t21?2425+29?m1s1
MFCD06766792
ZINC000015967810
ZINC000015967815
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.