Vitas-M small molecule compound

2-chloro-4-(5-{(E)-[5-(4-methoxyphenyl)-7-methyl-3-oxo-6-(phenylcarbamoyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid

Catalog ID
STK098692
SMILES COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C\c1ccc(o1)c1ccc(c(c1)Cl)C(=O)O)/s2)C(=O)Nc1ccccc1

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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 C33H24ClN3O6S MW 626.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H24ClN3O6S/c1-18-28(30(38)36-21-6-4-3-5-7-21)29(19-8-11-22(42-2)12-9-19)37-31(39)27(44-33(37)35-18)17-23-13-15-26(43-23)20-10-14-24(32(40)41)25(34)16-20/h3-17,29H,1-2H3,(H,36,38)(H,40,41)/b27-17+
InChIKey
BGAQGGCZZDQATO-WPWMEQJKSA-N
Synonyms

2CHLORO4(5((E)(5(4METHOXYPHENYL)7METHYL3OXO6(PHENYLCARBAMOYL)5H(13)THIAZOLO(32A)PYRIMIDIN2(3H)YLIDENE)METHYL)FURAN2YL)BENZOICACID
2chloro4(5((E)(5(4methoxyphenyl)7methyl3oxo6(phenylcarbamoyl)5H(13)thiazolo(32a)pyrimidin2ylidene)methyl)furan2yl)benzoicacid
4(5((6(ANILINOCARBONYL)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDIN2(3H)YLIDENE)METHYL)2FURYL)2CHLOROBENZOICACID
CC1=C(C(N2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)C(=O)O)Cl)SC2=N1)C5=CC=C(C=C5)OC)C(=O)NC6=CC=CC=C6
COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)c(=Cc1ccc(o1)c1ccc(c(c1)Cl)C(=O)O)s2)C(=O)Nc1ccccc1
InChI=1SC33H24ClN3O6Sc11828(30(38)36216435721)29(1981122(422)12919)3731(39)27(4433(37)3518)1723131526(4323)20101424(32(40)41)25(34)1620h31729H12H3(H3638)(H4041)b2717+
MFCD03700012
STK098692
ZINC000008399370
ZINC000008399374

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Available files

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