Vitas-M small molecule compound
(3a'S,6a'R)-3'-(3,4-dihydroxybenzyl)-5'-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-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
STL531765
SMILES CCc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)CCc1ccc(c(c1)OC)OC)Cc1ccc(c(c1)O)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 C32H33N3O7 MW 571.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33N3O7/c1-4-17-5-8-21-20(13-17)32(31(40)33-21)28-27(22(34-32)14-19-6-9-23(36)24(37)15-19)29(38)35(30(28)39)12-11-18-7-10-25(41-2)26(16-18)42-3/h5-10,13,15-16,22,27-28,34,36-37H,4,11-12,14H2,1-3H3,(H,33,40)/t22?,27-,28+,32?/m1/s1InChIKey
KJDQGMIITGVSAH-FLAMVOSXSA-NSynonyms
956918-20-0(3~(a)~(R)6~(a)~(S))1((34dihydroxyphenyl)methyl)5(2(34dimethoxyphenyl)ethyl)5ethylspiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)3(34dihydroxybenzyl)5(2(34dimethoxyphenyl)ethyl)5ethyl3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)3(34dihydroxybenzyl)5(34dimethoxyphenethyl)5ethyl33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
16405837
956918200
CCc1ccc2c(c1)C1(NC((C@@H)3(C@H)1C(=O)N(C3=O)CCc1ccc(c(c1)OC)OC)Cc1ccc(c(c1)O)O)C(=O)N2
InChI=1SC32H33N3O7c1417582120(1317)32(31(40)3321)2827(22(3432)14196923(36)24(37)1519)29(38)35(30(28)39)12111871025(412)26(1618)423h510131516222728343637H4111214H213H3(H3340)t22?2728+32?m1s1
MFCD07637248
ZINC000070705922
ZINC000070705940
Check stock
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Check stock on Vitas-MAvailable files
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