Vitas-M small molecule compound
(10Z)-10-{[1-(2,4-dichlorobenzyl)-1H-indol-3-yl]methylidene}-7-(2-methoxyphenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STK332435
SMILES COc1ccccc1C1C2=C(N=c3n1c(=O)/c(=C/c1cn(c4c1cccc4)Cc1ccc(cc1Cl)Cl)/s3)c1c(CC2)cccc1
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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 C37H27Cl2N3O2S MW 648.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H27Cl2N3O2S/c1-44-32-13-7-5-11-28(32)35-29-17-15-22-8-2-3-10-27(22)34(29)40-37-42(35)36(43)33(45-37)18-24-21-41(31-12-6-4-9-26(24)31)20-23-14-16-25(38)19-30(23)39/h2-14,16,18-19,21,35H,15,17,20H2,1H3/b33-18-InChIKey
YDOWBZXEEREGOC-OHUYPAJKSA-NSynonyms
(10Z)10((1(24dichlorobenzyl)1Hindol3yl)methylidene)7(2methoxyphenyl)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
COC1=CC=CC=C1C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)C(=CC6=CN(C7=CC=CC=C76)CC8=C(C=C(C=C8)Cl)Cl)S5
COc1ccccc1C1C2=C(N=c3n1c(=O)c(=Cc1cn(c4c1cccc4)Cc1ccc(cc1Cl)Cl)s3)c1c(CC2)cccc1
InChI=1SC37H27Cl2N3O2Sc1443213751128(32)35291715228231027(22)34(29)403742(35)36(43)33(4537)18242141(311264926(24)31)2023141625(38)1930(23)39h2141618192135H151720H21H3b3318
MFCD01969448
ZINC000097962686
ZINC000097962687
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