Vitas-M small molecule compound
(3a'S,6a'R)-5'-cyclopentyl-5-methyl-3'-[2-(methylsulfanyl)ethyl]-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
STL530815
SMILES CSCCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C1CCCC1)C(=O)Nc1c2cc(C)cc1
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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 C22H27N3O3S MW 413.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O3S/c1-12-7-8-15-14(11-12)22(21(28)23-15)18-17(16(24-22)9-10-29-2)19(26)25(20(18)27)13-5-3-4-6-13/h7-8,11,13,16-18,24H,3-6,9-10H2,1-2H3,(H,23,28)/t16?,17-,18+,22?/m1/s1InChIKey
HGEBMVUMLBLGLT-IOANDJKRSA-NSynonyms
956815-77-3(3~(a)~(R)6~(a)~(S))5cyclopentyl5methyl1(2methylsulfanylethyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)5cyclopentyl5methyl3(2(methylsulfanyl)ethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)5cyclopentyl5methyl3(2(methylthio)ethyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
16402411
956815773
CSCCC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)C1CCCC1)C(=O)Nc1c2cc(C)cc1
InChI=1SC22H27N3O3Sc112781514(1112)22(21(28)2315)1817(16(2422)910292)19(26)25(20(18)27)13534613h781113161824H36910H212H3(H2328)t16?1718+22?m1s1
MFCD06493603
ZINC000015957340
ZINC000020610861
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