Vitas-M small molecule compound
ethyl (2E)-2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK310802
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C\c1c(C)nn(c1C)c1ccccc1)/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 C26H24N4O3S2 MW 504.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N4O3S2/c1-5-33-25(32)22-16(3)27-26-29(23(22)20-12-9-13-34-20)24(31)21(35-26)14-19-15(2)28-30(17(19)4)18-10-7-6-8-11-18/h6-14,23H,5H2,1-4H3/b21-14+InChIKey
VWZHNDLHIACGOA-KGENOOAVSA-NSynonyms
1005599-69-81005599698
CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1c(C)nn(c1C)c1ccccc1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)C(=CC4=C(N(N=C4C)C5=CC=CC=C5)C)S2)C
ethyl(2E)2((35dimethyl1phenyl1Hpyrazol4yl)methylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)2((35dimethyl1phenylpyrazol4yl)methylidene)7methyl3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC26H24N4O3S2c153325(32)2216(3)272629(23(22)20129133420)24(31)21(3526)141915(2)2830(17(19)4)18107681118h61423H5H214H3b2114+
MFCD04136486
ZINC000013960149
ZINC000013960150
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