Vitas-M small molecule compound
ethyl (2Z)-2-{[3-(4-ethoxy-3-nitrophenyl)-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
STK798961
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C/c1cn(nc1c1ccc(c(c1)[N+](=O)[O-])OCC)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 C35H31N5O7S MW 665.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H31N5O7S/c1-5-46-28-17-14-23(18-27(28)40(43)44)31-24(20-38(37-31)25-10-8-7-9-11-25)19-29-33(41)39-32(22-12-15-26(45-4)16-13-22)30(34(42)47-6-2)21(3)36-35(39)48-29/h7-20,32H,5-6H2,1-4H3/b29-19-InChIKey
QMXMCCKLWJXSQG-CEUNXORHSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1cn(nc1c1ccc(c(c1)(N+)(=O)(O))OCC)c1ccccc1)s2
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC)C5=CC=C(C=C5)OC)C6=CC=CC=C6)(N+)(=O)(O)
ethyl(2Z)2((3(4ethoxy3nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)2((3(4ETHOXY3NITROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC35H31N5O7Sc154628171423(1827(28)40(43)44)3124(2038(3731)25108791125)192933(41)3932(22121526(454)161322)30(34(42)4762)21(3)3635(39)4829h72032H56H214H3b2919
MFCD03462161
ZINC000150398772
ZINC000150398776
Check stock
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Check stock on Vitas-MAvailable files
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