Vitas-M small molecule compound

(3a'S,6a'R)-5'-cyclopentyl-5-fluoro-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
STK580580
SMILES CSCCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C1CCCC1)C(=O)Nc1c2cc(F)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 C21H24FN3O3S MW 417.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24FN3O3S/c1-29-9-8-15-16-17(19(27)25(18(16)26)12-4-2-3-5-12)21(24-15)13-10-11(22)6-7-14(13)23-20(21)28/h6-7,10,12,15-17,24H,2-5,8-9H2,1H3,(H,23,28)/t15?,16-,17+,21?/m1/s1
InChIKey
KRMINIISJISQMD-NHUHVJRWSA-N
Synonyms
1212489-05-8
(3aR6aS)5cyclopentyl5fluoro1(2methylsulfanylethyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)5cyclopentyl5fluoro3(2(methylsulfanyl)ethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)5cyclopentyl5fluoro3(2(methylthio)ethyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
1212489058
CSCCC1C2C(C(=O)N(C2=O)C3CCCC3)C4(N1)C5=C(C=CC(=C5)F)NC4=O
CSCCC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)C1CCCC1)C(=O)Nc1c2cc(F)cc1
InChI=1SC21H24FN3O3Sc12998151617(19(27)25(18(16)26)12423512)21(2415)131011(22)6714(13)2320(21)28h671012151724H2589H21H3(H2328)t15?1617+21?m1s1
MFCD06597963
ZINC000018203282
ZINC000020517776

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Available files

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