Vitas-M small molecule compound
(3a'S,6a'R)-5'-(1,3-benzodioxol-5-yl)-5-bromo-3'-(1H-indol-3-ylmethyl)-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
STK597409
SMILES Brc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc3c(c1)OCO3)Cc1c[nH]c3c1cccc3)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 C29H21BrN4O5 MW 585.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21BrN4O5/c30-15-5-7-20-18(10-15)29(28(37)32-20)25-24(21(33-29)9-14-12-31-19-4-2-1-3-17(14)19)26(35)34(27(25)36)16-6-8-22-23(11-16)39-13-38-22/h1-8,10-12,21,24-25,31,33H,9,13H2,(H,32,37)/t21?,24-,25+,29?/m1/s1InChIKey
YAPHKTAXQNRXCF-BUHLBGKYSA-NSynonyms
1014021-05-6(3aR6aS)5(13benzodioxol5yl)5bromo1(1Hindol3ylmethyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)3((1Hindol3yl)methyl)5(benzo(d)(13)dioxol5yl)5bromo33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)5(13benzodioxol5yl)5bromo3(1Hindol3ylmethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1014021056
Brc1ccc2c(c1)C1(NC((C@@H)3(C@H)1C(=O)N(C3=O)c1ccc3c(c1)OCO3)Cc1c(nH)c3c1cccc3)C(=O)N2
C1OC2=C(O1)C=C(C=C2)N3C(=O)C4C(NC5(C4C3=O)C6=C(C=CC(=C6)Br)NC5=O)CC7=CNC8=CC=CC=C87
InChI=1SC29H21BrN4O5c3015572018(1015)29(28(37)3220)2524(21(3329)914123119421317(14)19)26(35)34(27(25)36)16682223(1116)39133822h1810122124253133H913H2(H3237)t21?2425+29?m1s1
MFCD07642224
ZINC000101091483
ZINC000101393578
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