Vitas-M small molecule compound
(10E)-10-{[1-(4-bromobenzyl)-1H-indol-3-yl]methylidene}-7-(4-methoxyphenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STK119201
SMILES COc1ccc(cc1)C1C2=C(N=c3n1c(=O)/c(=C\c1cn(c4c1cccc4)Cc1ccc(cc1)Br)/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 C37H28BrN3O2S MW 658.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H28BrN3O2S/c1-43-28-17-12-25(13-18-28)35-31-19-14-24-6-2-3-8-30(24)34(31)39-37-41(35)36(42)33(44-37)20-26-22-40(32-9-5-4-7-29(26)32)21-23-10-15-27(38)16-11-23/h2-13,15-18,20,22,35H,14,19,21H2,1H3/b33-20+InChIKey
FRJGOZSOZSOZCS-FMFFXOCNSA-NSynonyms
(10E)10((1(4BROMOBENZYL)1HINDOL3YL)METHYLIDENE)7(4METHOXYPHENYL)57DIHYDRO6HBENZO(H)(13)THIAZOLO(23B)QUINAZOLIN9(10H)ONE
COC1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)C(=CC6=CN(C7=CC=CC=C76)CC8=CC=C(C=C8)Br)S5
COc1ccc(cc1)C1C2=C(N=c3n1c(=O)c(=Cc1cn(c4c1cccc4)Cc1ccc(cc1)Br)s3)c1c(CC2)cccc1
InChI=1SC37H28BrN3O2Sc14328171225(131828)3531191424623830(24)34(31)393741(35)36(42)33(4437)20262240(32954729(26)32)2123101527(38)161123h2131518202235H141921H21H3b3320+
MFCD08679075
ZINC000097959744
ZINC000097959745
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