Vitas-M small molecule compound

ethyl (2Z)-2-[1-(4-chlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK797912
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C/1\c3ccccc3N(C1=O)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 C32H26ClN3O5S MW 600.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H26ClN3O5S/c1-4-41-31(39)25-18(2)34-32-36(27(25)20-11-15-22(40-3)16-12-20)30(38)28(42-32)26-23-7-5-6-8-24(23)35(29(26)37)17-19-9-13-21(33)14-10-19/h5-16,27H,4,17H2,1-3H3/b28-26-
InChIKey
JGPIXEWNDOHPGE-SGEDCAFJSA-N
Synonyms

CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=C1c3ccccc3N(C1=O)Cc1ccc(cc1)Cl)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC)C(=O)C(=C4C5=CC=CC=C5N(C4=O)CC6=CC=C(C=C6)Cl)S2)C
ethyl(2Z)2(1((4chlorophenyl)methyl)2oxoindol3ylidene)5(4methoxyphenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)2(1(4chlorobenzyl)2oxo12dihydro3Hindol3ylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC32H26ClN3O5Sc144131(39)2518(2)343236(27(25)20111522(403)161220)30(38)28(4232)2623756824(23)35(29(26)37)171991321(33)141019h51627H417H213H3b2826
MFCD03417283
ZINC000100838036
ZINC000100838038

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.