Vitas-M small molecule compound
ethyl (2Z)-5-[4-(acetyloxy)-3-methoxyphenyl]-7-methyl-2-({3-[3-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK810086
SMILES C=CCOc1ccc(cc1C)c1nn(cc1/C=c/1\sc2=NC(=C(C(n2c1=O)c1ccc(c(c1)OC)OC(=O)C)C(=O)OCC)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 C39H36N4O7S MW 704.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H36N4O7S/c1-7-18-49-30-16-14-26(19-23(30)3)35-28(22-42(41-35)29-12-10-9-11-13-29)21-33-37(45)43-36(27-15-17-31(50-25(5)44)32(20-27)47-6)34(38(46)48-8-2)24(4)40-39(43)51-33/h7,9-17,19-22,36H,1,8,18H2,2-6H3/b33-21-InChIKey
KZPBWTRQWVHPPQ-HWIUFGAZSA-NSynonyms
C=CCOc1ccc(cc1C)c1nn(cc1C=c1sc2=NC(=C(C(n2c1=O)c1ccc(c(c1)OC)OC(=O)C)C(=O)OCC)C)c1ccccc1
CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC(=O)C)OC)C(=O)C(=CC4=CN(N=C4C5=CC(=C(C=C5)OCC=C)C)C6=CC=CC=C6)S2)C
ethyl(2Z)5(4(acetyloxy)3methoxyphenyl)7methyl2((3(3methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxyla
ETHYL(2Z)5(4ACETYLOXY3METHOXYPHENYL)7METHYL2((3(3METHYL4PROP2ENOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC39H36N4O7Sc17184930161426(1923(30)3)3528(2242(4135)2912109111329)213337(45)4336(27151731(5025(5)44)32(2027)476)34(38(46)4882)24(4)4039(43)5133h7917192236H1818H226H3b3321
MFCD03462455
ZINC000097946292
ZINC000097946293
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