Vitas-M small molecule compound

methyl 4-[(10Z)-10-(2-hydroxybenzylidene)-9-oxo-5,7,9,10-tetrahydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-7-yl]benzoate

Catalog ID
STL025883
SMILES COC(=O)c1ccc(cc1)C1C2=C(N=c3n1c(=O)/c(=C/c1ccccc1O)/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 C29H22N2O4S MW 494.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22N2O4S/c1-35-28(34)19-12-10-18(11-13-19)26-22-15-14-17-6-2-4-8-21(17)25(22)30-29-31(26)27(33)24(36-29)16-20-7-3-5-9-23(20)32/h2-13,16,26,32H,14-15H2,1H3/b24-16-
InChIKey
WRXSCNZNDABVKN-JLPGSUDCSA-N
Synonyms
724748-36-1
(Z)methyl4(10(2hydroxybenzylidene)9oxo67910tetrahydro5Hbenzo(h)thiazolo(23b)quinazolin7yl)benzoate
724748361
COC(=O)C1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)C(=CC6=CC=CC=C6O)S5
COC(=O)c1ccc(cc1)C1C2=C(N=c3n1c(=O)c(=Cc1ccccc1O)s3)c1c(CC2)cccc1
InChI=1SC29H22N2O4Sc13528(34)19121018(111319)2622151417624821(17)25(22)302931(26)27(33)24(3629)1620735923(20)32h213162632H1415H21H3b2416
methyl4((10Z)10(2hydroxybenzylidene)9oxo57910tetrahydro6Hbenzo(h)(13)thiazolo(23b)quinazolin7yl)benzoate
MFCD04169052
ZINC000002416703
ZINC000002416705

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Available files

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