Vitas-M small molecule compound
(3a'S,6a'R)-5'-benzyl-3'-(butan-2-yl)-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
STL530625
SMILES CCC(C1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccccc1)C(=O)Nc1c2cccc1)C
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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 C24H25N3O3 MW 403.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N3O3/c1-3-14(2)20-18-19(22(29)27(21(18)28)13-15-9-5-4-6-10-15)24(26-20)16-11-7-8-12-17(16)25-23(24)30/h4-12,14,18-20,26H,3,13H2,1-2H3,(H,25,30)/t14?,18-,19-,20?,24?/m0/s1InChIKey
IBXANRPQRNBPCR-RSWUMYSYSA-NSynonyms
1212479-01-0(3~(a)~(R)6~(a)~(S))5benzyl1butan2ylspiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)5benzyl3(butan2yl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)5benzyl3(secbutyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
1212479010
16403664
CCC(C1NC2((C@H)3(C@@H)1C(=O)N(C3=O)Cc1ccccc1)C(=O)Nc1c2cccc1)C
InChI=1SC24H25N3O3c1314(2)201819(22(29)27(21(18)28)131595461015)24(2620)1611781217(16)2523(24)30h41214182026H313H212H3(H2530)t14?181920?24?m0s1
MFCD06764932
ZINC000015959308
ZINC000252694128
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