Vitas-M small molecule compound
methyl (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
STK810085
SMILES C=CCOc1ccc(cc1C)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 C38H34N4O7S MW 690.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H34N4O7S/c1-7-17-48-29-15-13-25(18-22(29)2)34-27(21-41(40-34)28-11-9-8-10-12-28)20-32-36(44)42-35(33(37(45)47-6)23(3)39-38(42)50-32)26-14-16-30(49-24(4)43)31(19-26)46-5/h7-16,18-21,35H,1,17H2,2-6H3/b32-20-InChIKey
NKQIBTYXCJTAMH-RGXNXFOYSA-NSynonyms
C=CCOc1ccc(cc1C)c1nn(cc1C=c1sc2=NC(=C(C(n2c1=O)c1ccc(c(c1)OC)OC(=O)C)C(=O)OC)C)c1ccccc1
CC1=C(C=CC(=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)OCC=C
InChI=1SC38H34N4O7Sc17174829151325(1822(29)2)3427(2141(4034)281198101228)203236(44)4235(33(37(45)476)23(3)3938(42)5032)26141630(4924(4)43)31(1926)465h716182135H117H226H3b3220
methyl(2Z)5(4(acetyloxy)3methoxyphenyl)7methyl2((3(3methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxyl
METHYL(2Z)5(4ACETYLOXY3METHOXYPHENYL)7METHYL2((3(3METHYL4PROP2ENOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD03462454
ZINC000097946290
ZINC000097946291
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