Vitas-M small molecule compound
(10E)-7-(2-chlorophenyl)-10-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STK742957
SMILES Cc1ccc(cc1)n1c(C)cc(c1C)/C=c\1/sc2=NC3=C(C(n2c1=O)c1ccccc1Cl)CCc1c3cccc1
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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 C34H28ClN3OS MW 562.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H28ClN3OS/c1-20-12-15-25(16-13-20)37-21(2)18-24(22(37)3)19-30-33(39)38-32(27-10-6-7-11-29(27)35)28-17-14-23-8-4-5-9-26(23)31(28)36-34(38)40-30/h4-13,15-16,18-19,32H,14,17H2,1-3H3/b30-19+InChIKey
BQMDNUQQNGJRGP-NDZAJKAJSA-NSynonyms
(10E)7(2chlorophenyl)10((25dimethyl1(4methylphenyl)1Hpyrrol3yl)methylidene)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
(Z)7(2chlorophenyl)10((25dimethyl1(ptolyl)1Hpyrrol3yl)methylene)710dihydro5Hbenzo(h)thiazolo(23b)quinazolin9(6H)one
CC1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)N4C(C5=C(C6=CC=CC=C6CC5)N=C4S3)C7=CC=CC=C7Cl)C
Cc1ccc(cc1)n1c(C)cc(c1C)C=c1sc2=NC3=C(C(n2c1=O)c1ccccc1Cl)CCc1c3cccc1
InChI=1SC34H28ClN3OSc120121525(161320)3721(2)1824(22(37)3)193033(39)3832(2710671129(27)35)28171423845926(23)31(28)3634(38)4030h4131516181932H1417H213H3b3019+
MFCD02784112
ZINC000100957001
ZINC000100957002
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