Vitas-M small molecule compound
prop-2-en-1-yl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-{[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK799127
SMILES CCCOc1ccc(cc1)c1nn(cc1/C=c/1\sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)C(=O)OCC=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 C37H34N4O5S MW 646.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H34N4O5S/c1-5-20-45-30-18-12-25(13-19-30)33-27(23-40(39-33)28-10-8-7-9-11-28)22-31-35(42)41-34(26-14-16-29(44-4)17-15-26)32(36(43)46-21-6-2)24(3)38-37(41)47-31/h6-19,22-23,34H,2,5,20-21H2,1,3-4H3/b31-22-InChIKey
CENIVRJBHBGMJO-VAMRJTSQSA-NSynonyms
CCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC=C)C5=CC=C(C=C5)OC)C6=CC=CC=C6
CCCOc1ccc(cc1)c1nn(cc1C=c1sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)C(=O)OCC=C)C)c1ccccc1
InChI=1SC37H34N4O5Sc15204530181225(131930)3327(2340(3933)28108791128)223135(42)4134(26141629(444)171526)32(36(43)462162)24(3)3837(41)4731h619222334H252021H2134H3b3122
MFCD03462297
prop2en1yl(2Z)5(4methoxyphenyl)7methyl3oxo2((1phenyl3(4propoxyphenyl)1Hpyrazol4yl)methylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROP2ENYL(2Z)5(4METHOXYPHENYL)7METHYL3OXO2((1PHENYL3(4PROPOXYPHENYL)PYRAZOL4YL)METHYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000097957665
ZINC000097957666
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