Vitas-M small molecule compound
methyl (2Z)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-{[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK799365
SMILES CCOc1ccc(cc1)c1nn(cc1/C=c/1\sc2=NC(=C(C(n2c1=O)c1ccc(c(c1)OC)OC(=O)C)C(=O)OC)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 C36H32N4O7S MW 664.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H32N4O7S/c1-6-46-27-15-12-23(13-16-27)32-25(20-39(38-32)26-10-8-7-9-11-26)19-30-34(42)40-33(31(35(43)45-5)21(2)37-36(40)48-30)24-14-17-28(47-22(3)41)29(18-24)44-4/h7-20,33H,6H2,1-5H3/b30-19-InChIKey
ZCHIGJSLZKAHBJ-FSGOGVSDSA-NSynonyms
CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OC)C5=CC(=C(C=C5)OC(=O)C)OC)C6=CC=CC=C6
CCOc1ccc(cc1)c1nn(cc1C=c1sc2=NC(=C(C(n2c1=O)c1ccc(c(c1)OC)OC(=O)C)C(=O)OC)C)c1ccccc1
InChI=1SC36H32N4O7Sc164627151223(131627)3225(2039(3832)26108791126)193034(42)4033(31(35(43)455)21(2)3736(40)4830)24141728(4722(3)41)29(1824)444h72033H6H215H3b3019
methyl(2Z)5(4(acetyloxy)3methoxyphenyl)2((3(4ethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL(2Z)5(4ACETYLOXY3METHOXYPHENYL)2((3(4ETHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD03462410
ZINC000097957673
ZINC000097957674
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