Vitas-M small molecule compound
methyl (2Z)-2-{[3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]imino}-5-phenyl-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL424672
SMILES COC(=O)c1[nH]/c(=N/C(=O)CCc2c(C)nn(c2C)CC)/sc1c1ccccc1
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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 C21H24N4O3S MW 412.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O3S/c1-5-25-14(3)16(13(2)24-25)11-12-17(26)22-21-23-18(20(27)28-4)19(29-21)15-9-7-6-8-10-15/h6-10H,5,11-12H2,1-4H3,(H,22,23,26)InChIKey
DDAFMUXLNJTLMX-UHFFFAOYSA-NSynonyms
1676073-64-51676073645
CCN1C(=C(C(=N1)C)CCC(=O)NC2=NC(=C(S2)C3=CC=CC=C3)C(=O)OC)C
COC(=O)c1(nH)c(=NC(=O)CCc2c(C)nn(c2C)CC)sc1c1ccccc1
InChI=1SC21H24N4O3Sc152514(3)16(13(2)2425)111217(26)22212318(20(27)284)19(2921)1597681015h610H51112H214H3(H222326)
methyl(2Z)2((3(1ethyl35dimethyl1Hpyrazol4yl)propanoyl)imino)5phenyl23dihydro13thiazole4carboxylate
methyl2(3(1ethyl35dimethylpyrazol4yl)propanoylamino)5phenyl13thiazole4carboxylate
MFCD30709508
ZINC000170625734
ZINC170625734
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