Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK032869
SMILES COc1ccc(cc1)C1=NN(C(=O)/C/1=C/NCC1CCCO1)c1nc2c(s1)cccc2
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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 C23H22N4O3S MW 434.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O3S/c1-29-16-10-8-15(9-11-16)21-18(14-24-13-17-5-4-12-30-17)22(28)27(26-21)23-25-19-6-2-3-7-20(19)31-23/h2-3,6-11,14,17,24H,4-5,12-13H2,1H3/b18-14+InChIKey
OVEDIIMBFCRFKN-NBVRZTHBSA-NSynonyms
(4E)2(13BENZOTHIAZOL2YL)5(4METHOXYPHENYL)4(((TETRAHYDROFURAN2YLMETHYL)AMINO)METHYLIDENE)24DIHYDRO3HPYRAZOL3ONE
(4E)2(13BENZOTHIAZOL2YL)5(4METHOXYPHENYL)4((OXOLAN2YLMETHYLAMINO)METHYLIDENE)PYRAZOL3ONE
COC1=CC=C(C=C1)C2=NN(C(=O)C2=CNCC3CCCO3)C4=NC5=CC=CC=C5S4
COc1ccc(cc1)C1=NN(C(=O)C1=CNCC1CCCO1)c1nc2c(s1)cccc2
InChI=1SC23H22N4O3Sc1291610815(91116)2118(1424131754123017)22(28)27(2621)232519623720(19)3123h23611141724H451213H21H3b1814+
MFCD03712031
STK032869
ZINC000100795455
ZINC000100795458
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