Vitas-M small molecule compound
(10Z)-10-(1,3-benzodioxol-5-ylmethylidene)-7-(3,4-dimethoxyphenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STK742949
SMILES COc1ccc(cc1OC)C1C2=C(N=c3n1c(=O)/c(=C/c1ccc4c(c1)OCO4)/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 C30H24N2O5S MW 524.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24N2O5S/c1-34-22-12-9-19(15-24(22)35-2)28-21-10-8-18-5-3-4-6-20(18)27(21)31-30-32(28)29(33)26(38-30)14-17-7-11-23-25(13-17)37-16-36-23/h3-7,9,11-15,28H,8,10,16H2,1-2H3/b26-14-InChIKey
CUXNWIFTFUUOKG-WGARJPEWSA-NSynonyms
724747-33-5(10Z)10(13benzodioxol5ylmethylidene)7(34dimethoxyphenyl)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
(Z)10(benzo(d)(13)dioxol5ylmethylene)7(34dimethoxyphenyl)710dihydro5Hbenzo(h)thiazolo(23b)quinazolin9(6H)one
724747335
COC1=C(C=C(C=C1)C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)C(=CC6=CC7=C(C=C6)OCO7)S5)OC
COc1ccc(cc1OC)C1C2=C(N=c3n1c(=O)c(=Cc1ccc4c(c1)OCO4)s3)c1c(CC2)cccc1
InChI=1SC30H24N2O5Sc1342212919(1524(22)352)282110818534620(18)27(21)313032(28)29(33)26(3830)14177112325(1317)37163623h379111528H81016H212H3b2614
MFCD03666253
ZINC000002376273
ZINC000002376277
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