Vitas-M small molecule compound
ethyl (2E)-4-methyl-2-{[(1',3',5'-trimethyl-1H,1'H-3,4'-bipyrazol-5-yl)carbonyl]imino}-2,3-dihydro-1,3-thiazole-5-carboxylate
Catalog ID
STL309280
SMILES CCOC(=O)c1s/c(=N/C(=O)c2[nH]nc(c2)c2c(C)nn(c2C)C)/[nH]c1C
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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 C17H20N6O3S MW 388.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N6O3S/c1-6-26-16(25)14-9(3)18-17(27-14)19-15(24)12-7-11(20-21-12)13-8(2)22-23(5)10(13)4/h7H,6H2,1-5H3,(H,20,21)(H,18,19,24)InChIKey
KAHJNRMMTSPPSN-UHFFFAOYSA-NSynonyms
1491128-88-11491128881
CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CC(=NN2)C3=C(N(N=C3C)C)C)C
CCOC(=O)c1sc(=NC(=O)c2(nH)nc(c2)c2c(C)nn(c2C)C)(nH)c1C
ethyl(2E)4methyl2(((135trimethyl1H1H34bipyrazol5yl)carbonyl)imino)23dihydro13thiazole5carboxylate
ethyl4methyl2((3(135trimethylpyrazol4yl)1Hpyrazole5carbonyl)amino)13thiazole5carboxylate
InChI=1SC17H20N6O3Sc162616(25)149(3)1817(2714)1915(24)12711(202112)138(2)2223(5)10(13)4h7H6H215H3(H2021)(H181924)
MFCD28028837
ZINC000095472450
ZINC95472450
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