Vitas-M small molecule compound
(3a'S,6a'R)-6-chloro-3'-(4-hydroxybenzyl)-7-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
STL530697
SMILES Oc1ccc(cc1)CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)CCc1ccccc1)C(=O)Nc1c2ccc(c1C)Cl
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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 C29H26ClN3O4 MW 516.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26ClN3O4/c1-16-21(30)12-11-20-25(16)31-28(37)29(20)24-23(22(32-29)15-18-7-9-19(34)10-8-18)26(35)33(27(24)36)14-13-17-5-3-2-4-6-17/h2-12,22-24,32,34H,13-15H2,1H3,(H,31,37)/t22?,23-,24+,29?/m1/s1InChIKey
UTUGTZSBUFKCBH-WRWAZOQGSA-NSynonyms
956998-90-6(3~(a)~(R)6~(a)~(S))6chloro1((4hydroxyphenyl)methyl)7methyl5(2phenylethyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)6chloro3(4hydroxybenzyl)7methyl5(2phenylethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)6chloro3(4hydroxybenzyl)7methyl5phenethyl33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
16403848
956998906
InChI=1SC29H26ClN3O4c11621(30)12112025(16)3128(37)29(20)2423(22(3229)15187919(34)10818)26(35)33(27(24)36)1413175324617h21222243234H1315H21H3(H3137)t22?2324+29?m1s1
MFCD06765424
Oc1ccc(cc1)CC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)CCc1ccccc1)C(=O)Nc1c2ccc(c1C)Cl
ZINC000015959555
ZINC000015959558
Check stock
See real-time availability and sample size for STL530697 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.