Vitas-M small molecule compound
propan-2-yl (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
STK798963
SMILES CCOc1ccc(cc1[N+](=O)[O-])c1nn(cc1/C=c/1\sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)C(=O)OC(C)C)C)c1ccccc1
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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 C36H33N5O7S MW 679.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H33N5O7S/c1-6-47-29-17-14-24(18-28(29)41(44)45)32-25(20-39(38-32)26-10-8-7-9-11-26)19-30-34(42)40-33(23-12-15-27(46-5)16-13-23)31(35(43)48-21(2)3)22(4)37-36(40)49-30/h7-21,33H,6H2,1-5H3/b30-19-InChIKey
SOJBZAMFAGOKRP-FSGOGVSDSA-NSynonyms
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OC(C)C)C5=CC=C(C=C5)OC)C6=CC=CC=C6)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))c1nn(cc1C=c1sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)C(=O)OC(C)C)C)c1ccccc1
InChI=1SC36H33N5O7Sc164729171424(1828(29)41(44)45)3225(2039(3832)26108791126)193034(42)4033(23121527(465)161323)31(35(43)4821(2)3)22(4)3736(40)4930h72133H6H215H3b3019
MFCD03462163
propan2yl(2Z)2((3(4ethoxy3nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROPAN2YL(2Z)2((3(4ETHOXY3NITROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000098047042
ZINC000098047043
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