Vitas-M small molecule compound
ethyl (2Z)-5-[4-(acetyloxy)-3-ethoxyphenyl]-2-(1-heptyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK701560
SMILES CCCCCCCN1c2ccccc2/C(=c\2/sc3=NC(=C(C(n3c2=O)c2ccc(c(c2)OCC)OC(=O)C)C(=O)OCC)C)/C1=O
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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 C35H39N3O7S MW 645.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H39N3O7S/c1-6-9-10-11-14-19-37-25-16-13-12-15-24(25)29(32(37)40)31-33(41)38-30(28(34(42)44-8-3)21(4)36-35(38)46-31)23-17-18-26(45-22(5)39)27(20-23)43-7-2/h12-13,15-18,20,30H,6-11,14,19H2,1-5H3/b31-29-InChIKey
YOKXXNAABXXQTA-YCNYHXFESA-NSynonyms
CCCCCCCN1C2=CC=CC=C2C(=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC)C5=CC(=C(C=C5)OC(=O)C)OCC)C1=O
CCCCCCCN1c2ccccc2C(=c2sc3=NC(=C(C(n3c2=O)c2ccc(c(c2)OCC)OC(=O)C)C(=O)OCC)C)C1=O
ethyl(2Z)5(4(acetyloxy)3ethoxyphenyl)2(1heptyl2oxo12dihydro3Hindol3ylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)5(4acetyloxy3ethoxyphenyl)2(1heptyl2oxoindol3ylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC35H39N3O7Sc1691011141937251613121524(25)29(32(37)40)3133(41)3830(28(34(42)4483)21(4)3635(38)4631)23171826(4522(5)39)27(2023)4372h121315182030H6111419H215H3b3129
MFCD03088561
ZINC000150397062
ZINC000150397067
Check stock
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Check stock on Vitas-MAvailable files
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