Vitas-M small molecule compound
2-chloro-4-(5-{(Z)-[7-(4-methoxyphenyl)-9-oxo-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-10(9H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK110493
SMILES COc1ccc(cc1)C1C2=C(N=c3n1c(=O)/c(=C/c1ccc(o1)c1ccc(c(c1)Cl)C(=O)O)/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 C33H23ClN2O5S MW 595.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H23ClN2O5S/c1-40-21-10-6-19(7-11-21)30-25-14-8-18-4-2-3-5-23(18)29(25)35-33-36(30)31(37)28(42-33)17-22-12-15-27(41-22)20-9-13-24(32(38)39)26(34)16-20/h2-7,9-13,15-17,30H,8,14H2,1H3,(H,38,39)/b28-17-InChIKey
ZILOFKIZWRMTQC-QRQIAZFYSA-NSynonyms
2CHLORO4(5((Z)(7(4METHOXYPHENYL)9OXO57DIHYDRO6HBENZO(H)(13)THIAZOLO(23B)QUINAZOLIN10(9H)YLIDENE)METHYL)FURAN2YL)BENZOICACID
COC1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)C(=CC6=CC=C(O6)C7=CC(=C(C=C7)C(=O)O)Cl)S5
COc1ccc(cc1)C1C2=C(N=c3n1c(=O)c(=Cc1ccc(o1)c1ccc(c(c1)Cl)C(=O)O)s3)c1c(CC2)cccc1
InChI=1SC33H23ClN2O5Sc1402110619(71121)302514818423523(18)29(25)353336(30)31(37)28(4233)1722121527(4122)2091324(32(38)39)26(34)1620h27913151730H814H21H3(H3839)b2817
MFCD08680089
ZINC000097959588
ZINC000097959589
Check stock
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Check stock on Vitas-MAvailable files
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