Vitas-M small molecule compound

methyl (2Z)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-[1-(4-chlorobenzyl)-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
STK798136
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)/c(=C\1/C(=O)N(c3c1cccc3)Cc1ccc(cc1)Cl)/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 C33H26ClN3O7S MW 644.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H26ClN3O7S/c1-17-26(32(41)43-4)28(20-11-14-24(44-18(2)38)25(15-20)42-3)37-31(40)29(45-33(37)35-17)27-22-7-5-6-8-23(22)36(30(27)39)16-19-9-12-21(34)13-10-19/h5-15,28H,16H2,1-4H3/b29-27-
InChIKey
MJVSCJVBTFEIMJ-OHYPFYFLSA-N
Synonyms

CC1=C(C(N2C(=O)C(=C3C4=CC=CC=C4N(C3=O)CC5=CC=C(C=C5)Cl)SC2=N1)C6=CC(=C(C=C6)OC(=O)C)OC)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)c(=C1C(=O)N(c3c1cccc3)Cc1ccc(cc1)Cl)s2
InChI=1SC33H26ClN3O7Sc11726(32(41)434)28(20111424(4418(2)38)25(1520)423)3731(40)29(4533(37)3517)2722756823(22)36(30(27)39)161991221(34)131019h51528H16H214H3b2927
methyl(2Z)5(4(acetyloxy)3methoxyphenyl)2(1(4chlorobenzyl)2oxo12dihydro3Hindol3ylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2Z)5(4acetyloxy3methoxyphenyl)2(1((4chlorophenyl)methyl)2oxoindol3ylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD03417550
ZINC000150399375
ZINC000150399379

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Available files

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