Vitas-M small molecule compound
prop-2-en-1-yl (2Z)-2-{[3-(4-bromophenyl)-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
STK798816
SMILES C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C/c1cn(nc1c1ccc(cc1)Br)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 C34H27BrN4O4S MW 667.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H27BrN4O4S/c1-4-18-43-33(41)29-21(2)36-34-39(31(29)23-12-16-27(42-3)17-13-23)32(40)28(44-34)19-24-20-38(26-8-6-5-7-9-26)37-30(24)22-10-14-25(35)15-11-22/h4-17,19-20,31H,1,18H2,2-3H3/b28-19-InChIKey
GRFQNIODCMYPLE-USHMODERSA-NSynonyms
C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1cn(nc1c1ccc(cc1)Br)c1ccccc1)s2
CC1=C(C(N2C(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)Br)C5=CC=CC=C5)SC2=N1)C6=CC=C(C=C6)OC)C(=O)OCC=C
InChI=1SC34H27BrN4O4Sc14184333(41)2921(2)363439(31(29)23121627(423)171323)32(40)28(4434)19242038(268657926)3730(24)22101425(35)151122h417192031H118H223H3b2819
MFCD03462086
prop2en1yl(2Z)2((3(4bromophenyl)1phenyl1Hpyrazol4yl)methylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROP2ENYL(2Z)2((3(4BROMOPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000097946381
ZINC000097946382
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Check stock on Vitas-MAvailable files
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