Vitas-M small molecule compound
(3a'S,6a'R)-5'-(1,3-benzodioxol-5-ylmethyl)-7-chloro-3'-(4-hydroxybenzyl)-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
STL533637
SMILES Oc1ccc(cc1)CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccc3c(c1)OCO3)C(=O)Nc1c2cccc1Cl
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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 C28H22ClN3O6 MW 531.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22ClN3O6/c29-18-3-1-2-17-24(18)30-27(36)28(17)23-22(19(31-28)10-14-4-7-16(33)8-5-14)25(34)32(26(23)35)12-15-6-9-20-21(11-15)38-13-37-20/h1-9,11,19,22-23,31,33H,10,12-13H2,(H,30,36)/t19?,22-,23+,28?/m1/s1InChIKey
USLUCCCHZMUGNA-QAAHARMDSA-NSynonyms
956827-57-9(3~(a)~(R)6~(a)~(S))5(13benzodioxol5ylmethyl)7chloro1((4hydroxyphenyl)methyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)5(13benzodioxol5ylmethyl)7chloro3(4hydroxybenzyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)5(benzo(d)(13)dioxol5ylmethyl)7chloro3(4hydroxybenzyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
16405173
956827579
InChI=1SC28H22ClN3O6c29183121724(18)3027(36)28(17)2322(19(3128)10144716(33)8514)25(34)32(26(23)35)1215692021(1115)38133720h19111922233133H101213H2(H3036)t19?2223+28?m1s1
MFCD06769263
Oc1ccc(cc1)CC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)Cc1ccc3c(c1)OCO3)C(=O)Nc1c2cccc1Cl
ZINC000070701456
ZINC000070701461
Check stock
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Check stock on Vitas-MAvailable files
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