Vitas-M small molecule compound
(3a'S,6a'R)-7-ethyl-3'-(1-hydroxyethyl)-5'-(2-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
STL531929
SMILES CCc1cccc2c1NC(=O)C12NC([C@@H]2[C@H]1C(=O)N(C2=O)Cc1ccccc1OC)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 C25H27N3O5 MW 449.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O5/c1-4-14-9-7-10-16-21(14)26-24(32)25(16)19-18(20(27-25)13(2)29)22(30)28(23(19)31)12-15-8-5-6-11-17(15)33-3/h5-11,13,18-20,27,29H,4,12H2,1-3H3,(H,26,32)/t13?,18-,19-,20?,25?/m0/s1InChIKey
SQGPABFIJDWYSY-SDBKZLQBSA-NSynonyms
1212479-09-8(3~(a)~(R)6~(a)~(S))7ethyl1(1hydroxyethyl)5((2methoxyphenyl)methyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)7ethyl3(1hydroxyethyl)5(2methoxybenzyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)7ethyl3(1hydroxyethyl)5(2methoxybenzyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1212479098
16403087
CCc1cccc2c1NC(=O)C12NC((C@@H)2(C@H)1C(=O)N(C2=O)Cc1ccccc1OC)C(O)C
InChI=1SC25H27N3O5c141497101621(14)2624(32)25(16)1918(20(2725)13(2)29)22(30)28(23(19)31)12158561117(15)333h5111318202729H412H213H3(H2632)t13?181920?25?m0s1
MFCD06495071
ZINC000015958404
ZINC000105378479
Check stock
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Check stock on Vitas-MAvailable files
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