Vitas-M small molecule compound
3-(1,3-benzodioxol-5-ylmethyl)-11-(9-ethyl-9H-carbazol-3-yl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK714220
SMILES CCn1c2ccc(cc2c2c1cccc2)n1c2nc3ccccc3nc2c2c1nc(C)n(c2=O)Cc1ccc2c(c1)OCO2
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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 C35H26N6O3 MW 578.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H26N6O3/c1-3-39-27-11-7-4-8-23(27)24-17-22(13-14-28(24)39)41-33-31(32-34(41)38-26-10-6-5-9-25(26)37-32)35(42)40(20(2)36-33)18-21-12-15-29-30(16-21)44-19-43-29/h4-17H,3,18-19H2,1-2H3InChIKey
PIVRWCPMSAIMRU-UHFFFAOYSA-NSynonyms
3(13benzodioxol5ylmethyl)11(9ethyl9Hcarbazol3yl)2methyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
3(benzo(d)(13)dioxol5ylmethyl)11(9ethyl9Hcarbazol3yl)2methyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
CCN1C2=C(C=C(C=C2)N3C4=C(C5=NC6=CC=CC=C6N=C53)C(=O)N(C(=N4)C)CC7=CC8=C(C=C7)OCO8)C9=CC=CC=C91
InChI=1SC35H26N6O3c1339271174823(27)241722(131428(24)39)413331(3234(41)38261065925(26)3732)35(42)40(20(2)3633)182112152930(1621)44194329h417H31819H212H3
MFCD02992666
ZINC000098000070
ZINC98000070
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