Vitas-M small molecule compound

2-methoxyethyl (2Z)-2-[5-bromo-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydro-3H-indol-3-ylidene]-5-{4-[(furan-2-ylcarbonyl)oxy]phenyl}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK702276
SMILES COCCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)c1ccco1)c(=O)/c(=C/1\c3cc(Br)ccc3N(C1=O)CC=C)/s2

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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 C33H26BrN3O8S MW 704.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H26BrN3O8S/c1-4-13-36-23-12-9-20(34)17-22(23)26(29(36)38)28-30(39)37-27(25(18(2)35-33(37)46-28)32(41)44-16-15-42-3)19-7-10-21(11-8-19)45-31(40)24-6-5-14-43-24/h4-12,14,17,27H,1,13,15-16H2,2-3H3/b28-26-
InChIKey
BMPZVQLWBRRNRX-SGEDCAFJSA-N
Synonyms

2methoxyethyl(2Z)2(5bromo2oxo1(prop2en1yl)12dihydro3Hindol3ylidene)5(4((furan2ylcarbonyl)oxy)phenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
2methoxyethyl(2Z)2(5bromo2oxo1prop2enylindol3ylidene)5(4(furan2carbonyloxy)phenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
CC1=C(C(N2C(=O)C(=C3C4=C(C=CC(=C4)Br)N(C3=O)CC=C)SC2=N1)C5=CC=C(C=C5)OC(=O)C6=CC=CO6)C(=O)OCCOC
COCCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)c1ccco1)c(=O)c(=C1c3cc(Br)ccc3N(C1=O)CC=C)s2
InChI=1SC33H26BrN3O8Sc1413362312920(34)1722(23)26(29(36)38)2830(39)3727(25(18(2)3533(37)4628)32(41)441615423)1971021(11819)4531(40)2465144324h412141727H1131516H223H3b2826
MFCD03088641
ZINC000150398339
ZINC000150398342

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Available files

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