Vitas-M small molecule compound
(3a'S,6a'R)-7-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
STL532424
SMILES CCc1cccc2c1NC(=O)C12NC([C@@H]2[C@H]1C(=O)N(C2=O)CCc1ccccc1)C(O)C
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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/c1-3-16-10-7-11-17-21(16)26-24(32)25(17)19-18(20(27-25)14(2)29)22(30)28(23(19)31)13-12-15-8-5-4-6-9-15/h4-11,14,18-20,27,29H,3,12-13H2,1-2H3,(H,26,32)/t14?,18-,19-,20?,25?/m0/s1InChIKey
TYWOLZGGOZTIIF-AUFBNMHPSA-NSynonyms
1212445-17-4(3~(a)~(R)6~(a)~(S))7ethyl1(1hydroxyethyl)5(2phenylethyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)7ethyl3(1hydroxyethyl)5(2phenylethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)7ethyl3(1hydroxyethyl)5phenethyl33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
1212445174
16404583
CCc1cccc2c1NC(=O)C12NC((C@@H)2(C@H)1C(=O)N(C2=O)CCc1ccccc1)C(O)C
InChI=1SC25H27N3O4c1316107111721(16)2624(32)25(17)1918(20(2725)14(2)29)22(30)28(23(19)31)1312158546915h4111418202729H31213H212H3(H2632)t14?181920?25?m0s1
MFCD06767520
ZINC000015968487
ZINC000105381092
Check stock
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Check stock on Vitas-MAvailable files
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