Vitas-M small molecule compound
ethyl (2E)-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK956249
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C\c1c(C)nn(c1C)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 C25H28N4O4S MW 480.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O4S/c1-7-28-16(5)19(14(3)27-28)13-20-23(30)29-22(17-9-11-18(32-6)12-10-17)21(24(31)33-8-2)15(4)26-25(29)34-20/h9-13,22H,7-8H2,1-6H3/b20-13+InChIKey
NBISTYQNOVUAFN-DEDYPNTBSA-NSynonyms
512811-92-6512811926
CCN1C(=C(C(=N1)C)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC=C(C=C4)OC)C
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1c(C)nn(c1C)CC)s2
ethyl(2E)2((1ethyl35dimethyl1Hpyrazol4yl)methylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)2((1ethyl35dimethylpyrazol4yl)methylidene)5(4methoxyphenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL2((1ETHYL35DIMETHYL1HPYRAZOL4YL)METHYLENE)5(4METHOXYPHENYL)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC25H28N4O4Sc172816(5)19(14(3)2728)132023(30)2922(1791118(326)121017)21(24(31)3382)15(4)2625(29)3420h91322H78H216H3b2013+
MFCD03466303
ZINC000000651125
ZINC000000651129
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