Vitas-M small molecule compound
5-(5-{(E)-[6-acetyl-5-(2,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid
Catalog ID
STK675261
SMILES COc1ccc(c(c1)OC)C1C(=C(C)N=c2n1c(=O)/c(=C\c1ccc(o1)c1ccc(c(c1)C(=O)O)Cl)/s2)C(=O)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 C29H23ClN2O7S MW 579.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23ClN2O7S/c1-14-25(15(2)33)26(19-8-6-17(37-3)12-23(19)38-4)32-27(34)24(40-29(32)31-14)13-18-7-10-22(39-18)16-5-9-21(30)20(11-16)28(35)36/h5-13,26H,1-4H3,(H,35,36)/b24-13+InChIKey
XDUGJILQUZNCBC-ZMOGYAJESA-NSynonyms
5(5((E)(6acetyl5(24dimethoxyphenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidin2(3H)ylidene)methyl)furan2yl)2chlorobenzoicacid
5(5((E)(6ACETYL5(24DIMETHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDIN2YLIDENE)METHYL)FURAN2YL)2CHLOROBENZOICACID
CC1=C(C(N2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)O)SC2=N1)C5=C(C=C(C=C5)OC)OC)C(=O)C
COc1ccc(c(c1)OC)C1C(=C(C)N=c2n1c(=O)c(=Cc1ccc(o1)c1ccc(c(c1)C(=O)O)Cl)s2)C(=O)C
InChI=1SC29H23ClN2O7Sc11425(15(2)33)26(198617(373)1223(19)384)3227(34)24(4029(32)3114)131871022(3918)165921(30)20(1116)28(35)36h51326H14H3(H3536)b2413+
MFCD01571765
ZINC000053275963
ZINC000100076759
Check stock
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Check stock on Vitas-MAvailable files
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