Vitas-M small molecule compound

(3a'S,6a'R)-5'-(2-methyl-5-nitrophenyl)-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
STL528382
SMILES CSCCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)c1cc(ccc1C)[N+](=O)[O-])C(=O)Nc1c2cccc1

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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 C23H22N4O5S MW 466.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O5S/c1-12-7-8-13(27(31)32)11-17(12)26-20(28)18-16(9-10-33-2)25-23(19(18)21(26)29)14-5-3-4-6-15(14)24-22(23)30/h3-8,11,16,18-19,25H,9-10H2,1-2H3,(H,24,30)/t16?,18-,19+,23?/m1/s1
InChIKey
JBEVVQKBUZUCMO-PBHGZRDXSA-N
Synonyms
956822-50-7
(3~(a)~(R)6~(a)~(S))5(2methyl5nitrophenyl)1(2methylsulfanylethyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)5(2methyl5nitrophenyl)3(2(methylsulfanyl)ethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)5(2methyl5nitrophenyl)3(2(methylthio)ethyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
16398537
956822507
CSCCC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)c1cc(ccc1C)(N+)(=O)(O))C(=O)Nc1c2cccc1
InChI=1SC23H22N4O5Sc1127813(27(31)32)1117(12)2620(28)1816(910332)2523(19(18)21(26)29)14534615(14)2422(23)30h381116181925H910H212H3(H2430)t16?1819+23?m1s1
MFCD03850187
ZINC000016042101
ZINC000016042104

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Available files

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