Vitas-M small molecule compound
(3a'S,6a'R)-5-ethyl-3'-(1-hydroxyethyl)-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
STL533396
SMILES CCc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)CCc1ccccc1)C(O)C)C(=O)N2
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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 C25H27N3O4 MW 433.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O4/c1-3-15-9-10-18-17(13-15)25(24(32)26-18)20-19(21(27-25)14(2)29)22(30)28(23(20)31)12-11-16-7-5-4-6-8-16/h4-10,13-14,19-21,27,29H,3,11-12H2,1-2H3,(H,26,32)/t14?,19-,20-,21?,25?/m0/s1InChIKey
WZMLRSVHAXQUKU-HIBNARQHSA-NSynonyms
1212472-27-9(3~(a)~(R)6~(a)~(S))5ethyl1(1hydroxyethyl)5(2phenylethyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)5ethyl3(1hydroxyethyl)5(2phenylethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)5ethyl3(1hydroxyethyl)5phenethyl33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
1212472279
16403591
CCc1ccc2c(c1)C1(NC((C@@H)3(C@H)1C(=O)N(C3=O)CCc1ccccc1)C(O)C)C(=O)N2
InChI=1SC25H27N3O4c13159101817(1315)25(24(32)2618)2019(21(2725)14(2)29)22(30)28(23(20)31)1211167546816h410131419212729H31112H212H3(H2632)t14?192021?25?m0s1
MFCD06764713
ZINC000015959171
ZINC000105379220
Check stock
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Check stock on Vitas-MAvailable files
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