Vitas-M small molecule compound
methyl (2Z)-5-[4-(dimethylamino)phenyl]-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL401009
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)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 C25H29N5O3S MW 479.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N5O3S/c1-8-29-16(4)19(14(2)27-29)13-20-23(31)30-22(17-9-11-18(12-10-17)28(5)6)21(24(32)33-7)15(3)26-25(30)34-20/h9-13,22H,8H2,1-7H3/b20-13-InChIKey
LJFOFUZRXQVZLL-MOSHPQCFSA-NSynonyms
CCN1C(=C(C(=N1)C)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OC)C4=CC=C(C=C4)N(C)C)C
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)c(=O)c(=Cc1c(C)nn(c1C)CC)s2
InChI=1SC25H29N5O3Sc182916(4)19(14(2)2729)132023(31)3022(1791118(121017)28(5)6)21(24(32)337)15(3)2625(30)3420h91322H8H217H3b2013
methyl(2Z)5(4(dimethylamino)phenyl)2((1ethyl35dimethyl1Hpyrazol4yl)methylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2Z)5(4(dimethylamino)phenyl)2((1ethyl35dimethylpyrazol4yl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD28952594
ZINC000035677733
ZINC000035677735
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