Vitas-M small molecule compound
(3a'S,6a'R)-3'-(4-hydroxybenzyl)-5'-(2-methoxyethyl)-5,7-dimethyl-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
STK571122
SMILES COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(cc2)O)C(=O)Nc2c1cc(C)cc2C
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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 C25H27N3O5 MW 449.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O5/c1-13-10-14(2)21-17(11-13)25(24(32)26-21)20-19(22(30)28(23(20)31)8-9-33-3)18(27-25)12-15-4-6-16(29)7-5-15/h4-7,10-11,18-20,27,29H,8-9,12H2,1-3H3,(H,26,32)/t18?,19-,20+,25?/m1/s1InChIKey
AFTUVLJUYFUBFM-PXRUUTNOSA-NSynonyms
1014020-90-6(3aR6aS)1((4hydroxyphenyl)methyl)5(2methoxyethyl)57dimethylspiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)3(4hydroxybenzyl)5(2methoxyethyl)57dimethyl33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)3(4hydroxybenzyl)5(2methoxyethyl)57dimethyl3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1014020906
CC1=CC(=C2C(=C1)C3(C4C(C(N3)CC5=CC=C(C=C5)O)C(=O)N(C4=O)CCOC)C(=O)N2)C
COCCN1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2Cc2ccc(cc2)O)C(=O)Nc2c1cc(C)cc2C
InChI=1SC25H27N3O5c1131014(2)2117(1113)25(24(32)2621)2019(22(30)28(23(20)31)89333)18(2725)12154616(29)7515h47101118202729H8912H213H3(H2632)t18?1920+25?m1s1
MFCD06789674
ZINC000016024525
ZINC000020566237
Check stock
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Check stock on Vitas-MAvailable files
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