Vitas-M small molecule compound
prop-2-en-1-yl (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
STK798170
SMILES C=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 C33H26ClN3O5S MW 612.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H26ClN3O5S/c1-4-17-42-32(40)26-19(2)35-33-37(28(26)21-11-15-23(41-3)16-12-21)31(39)29(43-33)27-24-7-5-6-8-25(24)36(30(27)38)18-20-9-13-22(34)14-10-20/h4-16,28H,1,17-18H2,2-3H3/b29-27-InChIKey
KYCYZECWHPAVQU-OHYPFYFLSA-NSynonyms
C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=C1c3ccccc3N(C1=O)Cc1ccc(cc1)Cl)s2
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)C(=O)OCC=C
InChI=1SC33H26ClN3O5Sc14174232(40)2619(2)353337(28(26)21111523(413)161221)31(39)29(4333)2724756825(24)36(30(27)38)182091322(34)141020h41628H11718H223H3b2927
MFCD03417574
prop2en1yl(2Z)2(1(4chlorobenzyl)2oxo12dihydro3Hindol3ylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
prop2enyl(2Z)2(1((4chlorophenyl)methyl)2oxoindol3ylidene)5(4methoxyphenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000100838351
ZINC000100838352
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