Vitas-M small molecule compound
ethyl 4-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzoate
Catalog ID
STL444543
SMILES CCCC1=NN(C(=O)/C/1=C(/Nc1ccc(cc1)C(=O)OCC)\C)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 C24H24N4O3S MW 448.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O3S/c1-4-8-19-21(15(3)25-17-13-11-16(12-14-17)23(30)31-5-2)22(29)28(27-19)24-26-18-9-6-7-10-20(18)32-24/h6-7,9-14,25H,4-5,8H2,1-3H3/b21-15+InChIKey
PSGULOMJAZFKJD-RCCKNPSSSA-NSynonyms
CCCC1=NN(C(=O)C1=C(C)NC2=CC=C(C=C2)C(=O)OCC)C3=NC4=CC=CC=C4S3
CCCC1=NN(C(=O)C1=C(Nc1ccc(cc1)C(=O)OCC)C)c1nc2c(s1)cccc2
ethyl4(((1E)1(1(13benzothiazol2yl)5oxo3propyl15dihydro4Hpyrazol4ylidene)ethyl)amino)benzoate
ETHYL4(((1E)1(1(13BENZOTHIAZOL2YL)5OXO3PROPYLPYRAZOL4YLIDENE)ETHYL)AMINO)BENZOATE
InChI=1SC24H24N4O3Sc1481921(15(3)2517131116(121417)23(30)3152)22(29)28(2719)2426189671020(18)3224h6791425H458H213H3b2115+
MFCD06240690
ZINC000096609549
ZINC09232989
ZINC96609549
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