Vitas-M small molecule compound

4-methyl-3-{5-[(Z)-(9-oxo-7-phenyl-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-10(9H)-ylidene)methyl]furan-2-yl}benzoic acid

Catalog ID
STL382322
SMILES OC(=O)c1ccc(c(c1)c1ccc(o1)/C=c/1\sc2=NC3=C(C(n2c1=O)c1ccccc1)CCc1c3cccc1)C

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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 C33H24N2O4S MW 544.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H24N2O4S/c1-19-11-12-22(32(37)38)17-26(19)27-16-14-23(39-27)18-28-31(36)35-30(21-8-3-2-4-9-21)25-15-13-20-7-5-6-10-24(20)29(25)34-33(35)40-28/h2-12,14,16-18,30H,13,15H2,1H3,(H,37,38)/b28-18-
InChIKey
DQEPVMUIXHFAJB-VEILYXNESA-N
Synonyms

4methyl3(5((Z)(9oxo7phenyl57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin10(9H)ylidene)methyl)furan2yl)benzoicacid
CC1=C(C=C(C=C1)C(=O)O)C2=CC=C(O2)C=C3C(=O)N4C(C5=C(C6=CC=CC=C6CC5)N=C4S3)C7=CC=CC=C7
InChI=1SC33H24N2O4Sc119111222(32(37)38)1726(19)27161423(3927)182831(36)3530(218324921)251513207561024(20)29(25)3433(35)4028h21214161830H1315H21H3(H3738)b2818
MFCD04276460
OC(=O)c1ccc(c(c1)c1ccc(o1)C=c1sc2=NC3=C(C(n2c1=O)c1ccccc1)CCc1c3cccc1)C
ZINC000104549526
ZINC000104549532

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Available files

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