Vitas-M small molecule compound
(1'S,3S,3'S)-3'-[(4-bromophenyl)carbonyl]-1'-(pyridin-3-ylcarbonyl)-1',10b'-dihydrospiro[indole-3,2'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Catalog ID
STK619972
SMILES Brc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c(C2[C@H]([C@]21C(=O)Nc1c2cccc1)C(=O)c1cccnc1)cccc3
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C32H22BrN3O3 MW 576.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H22BrN3O3/c33-22-13-11-20(12-14-22)29(38)30-32(24-9-3-4-10-25(24)35-31(32)39)26(28(37)21-7-5-16-34-18-21)27-23-8-2-1-6-19(23)15-17-36(27)30/h1-18,26-27,30H,(H,35,39)/t26-,27?,30+,32+/m0/s1InChIKey
UPGOIVFMEBQIMV-LEAODUIGSA-NSynonyms
(1S3S3S)3((4bromophenyl)carbonyl)1(pyridin3ylcarbonyl)110bdihydrospiro(indole32pyrrolo(21a)isoquinolin)2(1H)one
(1S3S3S)3(4bromobenzoyl)1(pyridine3carbonyl)spiro(1Hindole32310bdihydro1Hpyrrolo(21a)isoquinoline)2one
Brc1ccc(cc1)C(=O)(C@H)1N2C=Cc3c(C2(C@H)((C@)21C(=O)Nc1c2cccc1)C(=O)c1cccnc1)cccc3
C1=CC=C2C3C(C4(C(N3C=CC2=C1)C(=O)C5=CC=C(C=C5)Br)C6=CC=CC=C6NC4=O)C(=O)C7=CN=CC=C7
InChI=1SC32H22BrN3O3c3322131120(121422)29(38)3032(249341025(24)3531(32)39)26(28(37)217516341821)2723821619(23)151736(27)30h118262730H(H3539)t2627?30+32+m0s1
MFCD18246382
ZINC000101068897
ZINC000101068900
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