Vitas-M small molecule compound
ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-[1-(4-methylbenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK797823
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C/1\c3ccccc3N(C1=O)Cc1ccc(cc1)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 C33H29N3O5S MW 579.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29N3O5S/c1-5-41-32(39)26-20(3)34-33-36(28(26)22-14-16-23(40-4)17-15-22)31(38)29(42-33)27-24-8-6-7-9-25(24)35(30(27)37)18-21-12-10-19(2)11-13-21/h6-17,28H,5,18H2,1-4H3/b29-27-InChIKey
SHVNIYSSYVOSKU-OHYPFYFLSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=C1c3ccccc3N(C1=O)Cc1ccc(cc1)C)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)C)S2)C
ethyl(2Z)5(4methoxyphenyl)7methyl2(1((4methylphenyl)methyl)2oxoindol3ylidene)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)5(4methoxyphenyl)7methyl2(1(4methylbenzyl)2oxo12dihydro3Hindol3ylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC33H29N3O5Sc154132(39)2620(3)343336(28(26)22141623(404)171522)31(38)29(4233)2724867925(24)35(30(27)37)1821121019(2)111321h61728H518H214H3b2927
MFCD03417188
ZINC000002704096
ZINC000002704101
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.