Vitas-M small molecule compound

(10Z)-7-(2,5-dimethoxyphenyl)-10-{3-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one

Catalog ID
STK038597
SMILES COc1ccc(c(c1)C1C2=C(N=c3n1c(=O)/c(=C/c1ccc(c(c1)OC)OCc1ccc(cc1)[N+](=O)[O-])/s3)c1c(CC2)cccc1)OC

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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 C37H31N3O7S MW 661.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H31N3O7S/c1-44-26-14-17-30(45-2)29(20-26)35-28-15-11-24-6-4-5-7-27(24)34(28)38-37-39(35)36(41)33(48-37)19-23-10-16-31(32(18-23)46-3)47-21-22-8-12-25(13-9-22)40(42)43/h4-10,12-14,16-20,35H,11,15,21H2,1-3H3/b33-19-
InChIKey
ATVYBDSSJNXYOQ-APTWKGOFSA-N
Synonyms

(10Z)7(25DIMETHOXYPHENYL)10(3METHOXY4((4NITROBENZYL)OXY)BENZYLIDENE)57DIHYDRO6HBENZO(H)(13)THIAZOLO(23B)QUINAZOLIN9(10H)ONE
(Z)7(25dimethoxyphenyl)10(3methoxy4((4nitrobenzyl)oxy)benzylidene)710dihydro5Hbenzo(h)thiazolo(23b)quinazolin9(6H)one
COC1=CC(=C(C=C1)OC)C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)C(=CC6=CC(=C(C=C6)OCC7=CC=C(C=C7)(N+)(=O)(O))OC)S5
COc1ccc(c(c1)C1C2=C(N=c3n1c(=O)c(=Cc1ccc(c(c1)OC)OCc1ccc(cc1)(N+)(=O)(O))s3)c1c(CC2)cccc1)OC
InChI=1SC37H31N3O7Sc14426141730(452)29(2026)3528151124645727(24)34(28)383739(35)36(41)33(4837)1923101631(32(1823)463)47212281225(13922)40(42)43h4101214162035H111521H213H3b3319
MFCD04072862
STK038597
ZINC000150458871
ZINC000150458876

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Available files

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