Vitas-M small molecule compound
(4E)-2-(2,4-dimethylphenyl)-5-methyl-4-{[(5-propyl-1,3,4-thiadiazol-2-yl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL295489
SMILES CCCc1nnc(s1)N/C=C/1\C(=NN(C1=O)c1ccc(cc1C)C)C
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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 C18H21N5OS MW 355.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N5OS/c1-5-6-16-20-21-18(25-16)19-10-14-13(4)22-23(17(14)24)15-8-7-11(2)9-12(15)3/h7-10H,5-6H2,1-4H3,(H,19,21)/b14-10+InChIKey
BTRNCVIXSLATAS-GXDHUFHOSA-NSynonyms
(4E)2(24dimethylphenyl)5methyl4(((5propyl134thiadiazol2yl)amino)methylidene)24dihydro3Hpyrazol3one
(4E)2(24dimethylphenyl)5methyl4(((5propyl134thiadiazol2yl)amino)methylidene)pyrazol3one
CCCC1=NN=C(S1)NC=C2C(=NN(C2=O)C3=C(C=C(C=C3)C)C)C
CCCc1nnc(s1)NC=C1C(=NN(C1=O)c1ccc(cc1C)C)C
InChI=1SC18H21N5OSc15616202118(2516)19101413(4)2223(17(14)24)158711(2)912(15)3h710H56H214H3(H1921)b1410+
MFCD00606653
ZINC000101114393
ZINC101114393
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