Vitas-M small molecule compound
(3a'S,6a'R)-5-ethyl-3'-(4-hydroxybenzyl)-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
STL533374
SMILES CCc1ccc2c(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 C30H29N3O4 MW 495.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N3O4/c1-2-18-10-13-23-22(16-18)30(29(37)31-23)26-25(24(32-30)17-20-8-11-21(34)12-9-20)27(35)33(28(26)36)15-14-19-6-4-3-5-7-19/h3-13,16,24-26,32,34H,2,14-15,17H2,1H3,(H,31,37)/t24?,25-,26+,30?/m1/s1InChIKey
BOKHKNPWCQWAOW-BBYYJEGRSA-NSynonyms
956943-34-3(3~(a)~(R)6~(a)~(S))5ethyl1((4hydroxyphenyl)methyl)5(2phenylethyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)5ethyl3(4hydroxybenzyl)5(2phenylethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)5ethyl3(4hydroxybenzyl)5phenethyl33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
16405024
956943343
CCc1ccc2c(c1)C1(NC((C@@H)3(C@H)1C(=O)N(C3=O)CCc1ccccc1)Cc1ccc(cc1)O)C(=O)N2
InChI=1SC30H29N3O4c121810132322(1618)30(29(37)3123)2625(24(3230)172081121(34)12920)27(35)33(28(26)36)1514196435719h3131624263234H2141517H21H3(H3137)t24?2526+30?m1s1
MFCD06768789
ZINC000015969640
ZINC000015969646
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.