Vitas-M small molecule compound
ethyl (2E)-5-[4-(difluoromethoxy)phenyl]-2-[(1-ethyl-1H-pyrazol-3-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK305975
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(F)F)c(=O)/c(=C\c1ccn(n1)CC)/s2
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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 C23H22F2N4O4S MW 488.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22F2N4O4S/c1-4-28-11-10-15(27-28)12-17-20(30)29-19(14-6-8-16(9-7-14)33-22(24)25)18(21(31)32-5-2)13(3)26-23(29)34-17/h6-12,19,22H,4-5H2,1-3H3/b17-12+InChIKey
GYJXIDYCMJXGCJ-SFQUDFHCSA-NSynonyms
1005697-42-61005697426
CCN1C=CC(=N1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC=C(C=C4)OC(F)F
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(F)F)c(=O)c(=Cc1ccn(n1)CC)s2
ethyl(2E)5(4(difluoromethoxy)phenyl)2((1ethyl1Hpyrazol3yl)methylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)5(4(DIFLUOROMETHOXY)PHENYL)2((1ETHYLPYRAZOL3YL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC23H22F2N4O4Sc1428111015(2728)121720(30)2919(146816(9714)3322(24)25)18(21(31)3252)13(3)2623(29)3417h6121922H45H213H3b1712+
MFCD04046392
ZINC000002788104
ZINC000002788106
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