Vitas-M small molecule compound
(10E)-7-(2-methoxyphenyl)-10-[(5-methylfuran-2-yl)methylidene]-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STL025885
SMILES COc1ccccc1C1C2=C(N=c3n1c(=O)/c(=C\c1ccc(o1)C)/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 C27H22N2O3S MW 454.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O3S/c1-16-11-13-18(32-16)15-23-26(30)29-25(20-9-5-6-10-22(20)31-2)21-14-12-17-7-3-4-8-19(17)24(21)28-27(29)33-23/h3-11,13,15,25H,12,14H2,1-2H3/b23-15+InChIKey
HMZNNJUXEDSBFV-HZHRSRAPSA-NSynonyms
(10E)7(2methoxyphenyl)10((5methylfuran2yl)methylidene)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
(Z)7(2methoxyphenyl)10((5methylfuran2yl)methylene)710dihydro5Hbenzo(h)thiazolo(23b)quinazolin9(6H)one
CC1=CC=C(O1)C=C2C(=O)N3C(C4=C(C5=CC=CC=C5CC4)N=C3S2)C6=CC=CC=C6OC
COc1ccccc1C1C2=C(N=c3n1c(=O)c(=Cc1ccc(o1)C)s3)c1c(CC2)cccc1
InChI=1SC27H22N2O3Sc116111318(3216)152326(30)2925(209561022(20)312)21141217734819(17)24(21)2827(29)3323h311131525H1214H212H3b2315+
MFCD04083043
ZINC000001406859
ZINC000001406863
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