Vitas-M small molecule compound

ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-2-{[1-(2-chlorobenzyl)-1H-indol-3-yl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK325347
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)/c(=C/c1cn(c3c1cccc3)Cc1ccccc1Cl)/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/c1-3-40-32(39)29-19(2)35-33-37(30(29)20-12-13-26-27(14-20)42-18-41-26)31(38)28(43-33)15-22-17-36(25-11-7-5-9-23(22)25)16-21-8-4-6-10-24(21)34/h4-15,17,30H,3,16,18H2,1-2H3/b28-15-
InChIKey
NGCMLDXWSXYHJK-MBTHVWNTSA-N
Synonyms

CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)c(=Cc1cn(c3c1cccc3)Cc1ccccc1Cl)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)C(=CC5=CN(C6=CC=CC=C65)CC7=CC=CC=C7Cl)S2)C
ethyl(2Z)5(13benzodioxol5yl)2((1((2chlorophenyl)methyl)indol3yl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(13BENZODIOXOL5YL)2((1(2CHLOROBENZYL)1HINDOL3YL)METHYLIDENE)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC33H26ClN3O5Sc134032(39)2919(2)353337(30(29)2012132627(1420)42184126)31(38)28(4333)15221736(251175923(22)25)16218461024(21)34h4151730H31618H212H3b2815
MFCD01593433
ZINC000033353458
ZINC000033353459

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Available files

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