Vitas-M small molecule compound

(3a'S,6a'R)-3'-benzyl-5,7-dimethyl-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
STL530842
SMILES Cc1cc(C)c2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)CCc1ccccc1)Cc1ccccc1)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 C30H29N3O3 MW 479.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N3O3/c1-18-15-19(2)26-22(16-18)30(29(36)31-26)25-24(23(32-30)17-21-11-7-4-8-12-21)27(34)33(28(25)35)14-13-20-9-5-3-6-10-20/h3-12,15-16,23-25,32H,13-14,17H2,1-2H3,(H,31,36)/t23?,24-,25+,30?/m1/s1
InChIKey
GJHUCIUAAVMMTF-VSSSQIRHSA-N
Synonyms
956936-76-8
(3~(a)~(R)6~(a)~(S))1benzyl57dimethyl5(2phenylethyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)3benzyl57dimethyl5(2phenylethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)3benzyl57dimethyl5phenethyl33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
16404237
956936768
Cc1cc(C)c2c(c1)C1(NC((C@@H)3(C@H)1C(=O)N(C3=O)CCc1ccccc1)Cc1ccccc1)C(=O)N2
InChI=1SC30H29N3O3c1181519(2)2622(1618)30(29(36)3126)2524(23(3230)1721117481221)27(34)33(28(25)35)14132095361020h3121516232532H131417H212H3(H3136)t23?2425+30?m1s1
MFCD06766562
ZINC000015967653
ZINC000015967659

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Available files

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