Vitas-M small molecule compound
(2Z)-2-{[5-(azepan-1-yl)furan-2-yl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Catalog ID
STK113836
SMILES COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C/c1ccc(o1)N1CCCCCC1)/s2)C(=O)Nc1ccccc1
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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 C32H32N4O4S MW 568.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32N4O4S/c1-21-28(30(37)34-23-10-6-5-7-11-23)29(22-12-14-24(39-2)15-13-22)36-31(38)26(41-32(36)33-21)20-25-16-17-27(40-25)35-18-8-3-4-9-19-35/h5-7,10-17,20,29H,3-4,8-9,18-19H2,1-2H3,(H,34,37)/b26-20-InChIKey
GJCNDXCBEMEHDT-QOMWVZHYSA-NSynonyms
(2Z)2((5(AZEPAN1YL)FURAN2YL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXONPHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXAMIDE
(2Z)2((5(AZEPAN1YL)FURAN2YL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXONPHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXAMIDE
CC1=C(C(N2C(=O)C(=CC3=CC=C(O3)N4CCCCCC4)SC2=N1)C5=CC=C(C=C5)OC)C(=O)NC6=CC=CC=C6
COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)c(=Cc1ccc(o1)N1CCCCCC1)s2)C(=O)Nc1ccccc1
InChI=1SC32H32N4O4Sc12128(30(37)3423106571123)29(22121424(392)151322)3631(38)26(4132(36)3321)2025161727(4025)351883491935h5710172029H34891819H212H3(H3437)b2620
MFCD04127657
ZINC000097959709
ZINC000097959710
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.