Vitas-M small molecule compound
(3a'S,6a'R)-5'-benzyl-5-chloro-3'-(1H-indol-3-ylmethyl)-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
STL532821
SMILES Clc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)Cc1ccccc1)Cc1c[nH]c3c1cccc3)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 C29H23ClN4O3 MW 510.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23ClN4O3/c30-18-10-11-22-20(13-18)29(28(37)32-22)25-24(26(35)34(27(25)36)15-16-6-2-1-3-7-16)23(33-29)12-17-14-31-21-9-5-4-8-19(17)21/h1-11,13-14,23-25,31,33H,12,15H2,(H,32,37)/t23?,24-,25+,29?/m1/s1InChIKey
BMRYSESXNCXYHH-SIAIGSQXSA-NSynonyms
956911-48-1(3~(a)~(R)6~(a)~(S))5benzyl5chloro1(1~(H)indol3ylmethyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)3((1Hindol3yl)methyl)5benzyl5chloro33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)5benzyl5chloro3(1Hindol3ylmethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
16404030
956911481
Clc1ccc2c(c1)C1(NC((C@@H)3(C@H)1C(=O)N(C3=O)Cc1ccccc1)Cc1c(nH)c3c1cccc3)C(=O)N2
InChI=1SC29H23ClN4O3c301810112220(1318)29(28(37)3222)2524(26(35)34(27(25)36)15166213716)23(3329)1217143121954819(17)21h111131423253133H1215H2(H3237)t23?2425+29?m1s1
MFCD06765929
ZINC000015959834
ZINC000015959838
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.