Vitas-M small molecule compound
(1'R,3R,3'R,3a'S)-1'-[(4-bromophenyl)carbonyl]-3'-[(3,4-dimethoxyphenyl)carbonyl]-3',3a'-dihydrospiro[indole-3,2'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Catalog ID
STK540441
SMILES COc1ccc(cc1OC)C(=O)[C@H]1[C@@H]2C=Cc3c(N2[C@H]([C@]21C(=O)Nc1c2cccc1)C(=O)c1ccc(cc1)Br)cccc3
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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 C35H27BrN2O5 MW 635.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H27BrN2O5/c1-42-28-18-14-22(19-29(28)43-2)31(39)30-27-17-13-20-7-3-6-10-26(20)38(27)33(32(40)21-11-15-23(36)16-12-21)35(30)24-8-4-5-9-25(24)37-34(35)41/h3-19,27,30,33H,1-2H3,(H,37,41)/t27-,30+,33-,35-/m0/s1InChIKey
PUINCITTZNQKAZ-CCJIBPCHSA-NSynonyms
(1R3R3R3aS)1((4bromophenyl)carbonyl)3((34dimethoxyphenyl)carbonyl)33adihydrospiro(indole32pyrrolo(12a)quinolin)2(1H)one
(1R3R3R3aS)1(4bromobenzoyl)3(34dimethoxybenzoyl)spiro(1Hindole3233adihydro1Hpyrrolo(12a)quinoline)2one
COC1=C(C=C(C=C1)C(=O)C2C3C=CC4=CC=CC=C4N3C(C25C6=CC=CC=C6NC5=O)C(=O)C7=CC=C(C=C7)Br)OC
COc1ccc(cc1OC)C(=O)(C@H)1(C@@H)2C=Cc3c(N2(C@H)((C@)21C(=O)Nc1c2cccc1)C(=O)c1ccc(cc1)Br)cccc3
InChI=1SC35H27BrN2O5c14228181422(1929(28)432)31(39)30271713207361026(20)38(27)33(32(40)21111523(36)161221)35(30)24845925(24)3734(35)41h319273033H12H3(H3741)t2730+3335m0s1
MFCD18241827
ZINC000150421886
ZINC150421886
Check stock
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Check stock on Vitas-MAvailable files
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