Vitas-M small molecule compound
prop-2-en-1-yl (2Z)-2-{[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798958
SMILES C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C/c1cn(nc1c1ccc(c(c1)Br)OC)c1ccccc1)/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 C35H29BrN4O5S MW 697.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H29BrN4O5S/c1-5-17-45-34(42)30-21(2)37-35-40(32(30)22-11-14-26(43-3)15-12-22)33(41)29(46-35)19-24-20-39(25-9-7-6-8-10-25)38-31(24)23-13-16-28(44-4)27(36)18-23/h5-16,18-20,32H,1,17H2,2-4H3/b29-19-InChIKey
JVFYCQMVHMBBCS-CEUNXORHSA-NSynonyms
C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1cn(nc1c1ccc(c(c1)Br)OC)c1ccccc1)s2
CC1=C(C(N2C(=O)C(=CC3=CN(N=C3C4=CC(=C(C=C4)OC)Br)C5=CC=CC=C5)SC2=N1)C6=CC=C(C=C6)OC)C(=O)OCC=C
InChI=1SC35H29BrN4O5Sc15174534(42)3021(2)373540(32(30)22111426(433)151222)33(41)29(4635)19242039(2597681025)3831(24)23131628(444)27(36)1823h516182032H117H224H3b2919
MFCD03462159
prop2en1yl(2Z)2((3(3bromo4methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROP2ENYL(2Z)2((3(3BROMO4METHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000097946389
ZINC000097946390
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