Vitas-M small molecule compound
(3a'S,6a'R)-3'-(3,4-dihydroxybenzyl)-5'-(4-methoxybenzyl)-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
STL565673
SMILES COc1ccc(cc1)CN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(c(c2)O)O)C(=O)Nc2c1cccc2
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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 C28H25N3O6 MW 499.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O6/c1-37-17-9-6-15(7-10-17)14-31-25(34)23-20(12-16-8-11-21(32)22(33)13-16)30-28(24(23)26(31)35)18-4-2-3-5-19(18)29-27(28)36/h2-11,13,20,23-24,30,32-33H,12,14H2,1H3,(H,29,36)/t20?,23-,24+,28?/m1/s1InChIKey
LDFXBRDZTOCKRE-IHPLILTRSA-NSynonyms
956817-52-0(3aR6aS)1((34dihydroxyphenyl)methyl)5((4methoxyphenyl)methyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)3(34dihydroxybenzyl)5(4methoxybenzyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)3(34dihydroxybenzyl)5(4methoxybenzyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
16403781
956817520
COc1ccc(cc1)CN1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2Cc2ccc(c(c2)O)O)C(=O)Nc2c1cccc2
InChI=1SC28H25N3O6c137179615(71017)143125(34)2320(121681121(32)22(33)1316)3028(24(23)26(31)35)18423519(18)2927(28)36h21113202324303233H1214H21H3(H2936)t20?2324+28?m1s1
ZINC000015959448
ZINC000020611895
Check stock
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Check stock on Vitas-MAvailable files
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