Vitas-M small molecule compound
(3a'S,6a'R)-3'-(1-hydroxyethyl)-5'-(4-methoxybenzyl)-6,7-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
STL529941
SMILES COc1ccc(cc1)CN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2C(O)C)C(=O)Nc2c1ccc(c2C)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 C25H27N3O5 MW 449.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O5/c1-12-5-10-17-20(13(12)2)26-24(32)25(17)19-18(21(27-25)14(3)29)22(30)28(23(19)31)11-15-6-8-16(33-4)9-7-15/h5-10,14,18-19,21,27,29H,11H2,1-4H3,(H,26,32)/t14?,18-,19-,21?,25?/m0/s1InChIKey
JBPHKLSPHJFFQO-WQSAJADJSA-NSynonyms
1212450-18-4(3~(a)~(R)6~(a)~(S))1(1hydroxyethyl)5((4methoxyphenyl)methyl)67dimethylspiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)3(1hydroxyethyl)5(4methoxybenzyl)67dimethyl33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)3(1hydroxyethyl)5(4methoxybenzyl)67dimethyl3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1212450184
16402232
COc1ccc(cc1)CN1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2C(O)C)C(=O)Nc2c1ccc(c2C)C
InChI=1SC25H27N3O5c1125101720(13(12)2)2624(32)25(17)1918(21(2725)14(3)29)22(30)28(23(19)31)11156816(334)9715h510141819212729H11H214H3(H2632)t14?181921?25?m0s1
MFCD06493199
ZINC000015957053
ZINC000105377423
Check stock
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Check stock on Vitas-MAvailable files
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