Vitas-M small molecule compound
(3a'S,6a'R)-3'-(4-hydroxybenzyl)-5-methyl-5'-(2-phenylethyl)-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
STL532783
SMILES Cc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)CCc1ccccc1)Cc1ccc(cc1)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 C29H27N3O4 MW 481.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O4/c1-17-7-12-22-21(15-17)29(28(36)30-22)25-24(23(31-29)16-19-8-10-20(33)11-9-19)26(34)32(27(25)35)14-13-18-5-3-2-4-6-18/h2-12,15,23-25,31,33H,13-14,16H2,1H3,(H,30,36)/t23?,24-,25+,29?/m1/s1InChIKey
HUFTWKFMYFEESC-SIAIGSQXSA-NSynonyms
956813-74-4(3~(a)~(R)6~(a)~(S))1((4hydroxyphenyl)methyl)5methyl5(2phenylethyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)3(4hydroxybenzyl)5methyl5(2phenylethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)3(4hydroxybenzyl)5methyl5phenethyl33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
16403767
956813744
Cc1ccc2c(c1)C1(NC((C@@H)3(C@H)1C(=O)N(C3=O)CCc1ccccc1)Cc1ccc(cc1)O)C(=O)N2
InChI=1SC29H27N3O4c1177122221(1517)29(28(36)3022)2524(23(3129)161981020(33)11919)26(34)32(27(25)35)1413185324618h2121523253133H131416H21H3(H3036)t23?2425+29?m1s1
MFCD06765221
ZINC000015959433
ZINC000015959436
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.