Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-(1-{[2-(thiophen-2-yl)ethyl]amino}ethylidene)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK261957
SMILES C/C(=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)C)/NCCc1cccs1
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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 C19H18N4OS2 MW 382.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4OS2/c1-12(20-10-9-14-6-5-11-25-14)17-13(2)22-23(18(17)24)19-21-15-7-3-4-8-16(15)26-19/h3-8,11,20H,9-10H2,1-2H3/b17-12-InChIKey
NUNQXANAOFBSRA-ATVHPVEESA-NSynonyms
(4Z)2(13benzothiazol2yl)5methyl4(1((2(thiophen2yl)ethyl)amino)ethylidene)24dihydro3Hpyrazol3one
(4Z)2(13BENZOTHIAZOL2YL)5METHYL4(1(2THIOPHEN2YLETHYLAMINO)ETHYLIDENE)PYRAZOL3ONE
CC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)C)NCCc1cccs1
CC1=NN(C(=O)C1=C(C)NCCC2=CC=CS2)C3=NC4=CC=CC=C4S3
InChI=1SC19H18N4OS2c112(201091465112514)1713(2)2223(18(17)24)192115734816(15)2619h381120H910H212H3b1712
MFCD07022687
ZINC000100213219
ZINC100213219
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