Vitas-M small molecule compound
(3a'S,6a'R)-5'-cyclopentyl-7-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
STL531010
SMILES CSCCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C1CCCC1)C(=O)Nc1c2cccc1C
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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/c1-12-6-5-9-14-18(12)23-21(28)22(14)17-16(15(24-22)10-11-29-2)19(26)25(20(17)27)13-7-3-4-8-13/h5-6,9,13,15-17,24H,3-4,7-8,10-11H2,1-2H3,(H,23,28)/t15?,16-,17+,22?/m1/s1InChIKey
FRCWUYJLWKGFRZ-IZCOPSDLSA-NSynonyms
956918-14-2(3~(a)~(R)6~(a)~(S))5cyclopentyl7methyl1(2methylsulfanylethyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)5cyclopentyl7methyl3(2(methylsulfanyl)ethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)5cyclopentyl7methyl3(2(methylthio)ethyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
16403433
956918142
CSCCC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)C1CCCC1)C(=O)Nc1c2cccc1C
InChI=1SC22H27N3O3Sc1126591418(12)2321(28)22(14)1716(15(2422)1011292)19(26)25(20(17)27)13734813h56913151724H34781011H212H3(H2328)t15?1617+22?m1s1
MFCD06495786
ZINC000015958920
ZINC000020611650
Check stock
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Check stock on Vitas-MAvailable files
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