Vitas-M small molecule compound
(3a'S,6a'R)-3'-(4-hydroxybenzyl)-5,7-dimethyl-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
STL531237
SMILES Cc1cc(C)c2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)CCc1ccccc1)Cc1ccc(cc1)O)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 C30H29N3O4 MW 495.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N3O4/c1-17-14-18(2)26-22(15-17)30(29(37)31-26)25-24(23(32-30)16-20-8-10-21(34)11-9-20)27(35)33(28(25)36)13-12-19-6-4-3-5-7-19/h3-11,14-15,23-25,32,34H,12-13,16H2,1-2H3,(H,31,37)/t23?,24-,25+,30?/m1/s1InChIKey
JSLZSEDPJJJCGU-VSSSQIRHSA-NSynonyms
956975-16-9(3~(a)~(R)6~(a)~(S))1((4hydroxyphenyl)methyl)57dimethyl5(2phenylethyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)3(4hydroxybenzyl)57dimethyl5(2phenylethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)3(4hydroxybenzyl)57dimethyl5phenethyl33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
16404013
956975169
Cc1cc(C)c2c(c1)C1(NC((C@@H)3(C@H)1C(=O)N(C3=O)CCc1ccccc1)Cc1ccc(cc1)O)C(=O)N2
InChI=1SC30H29N3O4c1171418(2)2622(1517)30(29(37)3126)2524(23(3230)162081021(34)11920)27(35)33(28(25)36)1312196435719h311141523253234H121316H212H3(H3137)t23?2425+30?m1s1
MFCD06765896
ZINC000015959810
ZINC000015959813
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.