Vitas-M small molecule compound

(10Z)-10-(anthracen-9-ylmethylidene)-7-(3,4-dimethoxyphenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one

Catalog ID
STK742950
SMILES COc1cc(ccc1OC)C1C2=C(N=c3n1c(=O)/c(=C/c1c4ccccc4cc4c1cccc4)/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 C37H28N2O3S MW 580.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H28N2O3S/c1-41-31-18-16-25(20-32(31)42-2)35-29-17-15-22-9-3-8-14-28(22)34(29)38-37-39(35)36(40)33(43-37)21-30-26-12-6-4-10-23(26)19-24-11-5-7-13-27(24)30/h3-14,16,18-21,35H,15,17H2,1-2H3/b33-21-
InChIKey
NLBYPIMAKPLPGJ-HWIUFGAZSA-N
Synonyms

(10Z)10(anthracen9ylmethylidene)7(34dimethoxyphenyl)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
(Z)10(anthracen9ylmethylene)7(34dimethoxyphenyl)710dihydro5Hbenzo(h)thiazolo(23b)quinazolin9(6H)one
COC1=C(C=C(C=C1)C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)C(=CC6=C7C=CC=CC7=CC8=CC=CC=C86)S5)OC
COc1cc(ccc1OC)C1C2=C(N=c3n1c(=O)c(=Cc1c4ccccc4cc4c1cccc4)s3)c1c(CC2)cccc1
InChI=1SC37H28N2O3Sc14131181625(2032(31)422)35291715229381428(22)34(29)383739(35)36(40)33(4337)21302612641023(26)192411571327(24)30h31416182135H1517H212H3b3321
MFCD01970176
ZINC000097968618
ZINC000097968619

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Available files

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