Vitas-M small molecule compound
(3a'S,6a'R)-5-ethyl-3'-[2-(methylsulfanyl)ethyl]-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
STL532463
SMILES CSCCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)CCc1ccccc1)C(=O)Nc1c2cc(CC)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 C26H29N3O3S MW 463.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O3S/c1-3-16-9-10-19-18(15-16)26(25(32)27-19)22-21(20(28-26)12-14-33-2)23(30)29(24(22)31)13-11-17-7-5-4-6-8-17/h4-10,15,20-22,28H,3,11-14H2,1-2H3,(H,27,32)/t20?,21-,22+,26?/m1/s1InChIKey
QLIBMHACSRMFAV-YPHDTHBOSA-NSynonyms
956976-13-9(3~(a)~(R)6~(a)~(S))5ethyl1(2methylsulfanylethyl)5(2phenylethyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)5ethyl3(2(methylsulfanyl)ethyl)5(2phenylethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)5ethyl3(2(methylthio)ethyl)5phenethyl33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
16403608
956976139
CSCCC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)CCc1ccccc1)C(=O)Nc1c2cc(CC)cc1
InChI=1SC26H29N3O3Sc13169101918(1516)26(25(32)2719)2221(20(2826)1214332)23(30)29(24(22)31)1311177546817h41015202228H31114H212H3(H2732)t20?2122+26?m1s1
MFCD06764765
ZINC000015959216
ZINC000015959219
Check stock
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Check stock on Vitas-MAvailable files
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