Vitas-M small molecule compound
(4Z)-4-{1-[(1,3-benzodioxol-5-ylmethyl)amino]ethylidene}-2-(1,3-benzothiazol-2-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK231903
SMILES C/C(=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)C)/NCc1ccc2c(c1)OCO2
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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 C21H18N4O3S MW 406.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O3S/c1-12(22-10-14-7-8-16-17(9-14)28-11-27-16)19-13(2)24-25(20(19)26)21-23-15-5-3-4-6-18(15)29-21/h3-9,22H,10-11H2,1-2H3/b19-12-InChIKey
KBBUPOWVJAGDRQ-UNOMPAQXSA-NSynonyms
(4Z)4(1((13benzodioxol5ylmethyl)amino)ethylidene)2(13benzothiazol2yl)5methyl24dihydro3Hpyrazol3one
(4Z)4(1(13BENZODIOXOL5YLMETHYLAMINO)ETHYLIDENE)2(13BENZOTHIAZOL2YL)5METHYLPYRAZOL3ONE
4(((2HBENZO(34D)13DIOXOLEN5YLMETHYL)AMINO)ETHYLIDENE)1BENZOTHIAZOL2YL3METHYL12DIAZOLIN5ONE
CC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)C)NCc1ccc2c(c1)OCO2
CC1=NN(C(=O)C1=C(C)NCC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5S4
InChI=1SC21H18N4O3Sc112(221014781617(914)28112716)1913(2)2425(20(19)26)212315534618(15)2921h3922H1011H212H3b1912
MFCD07792698
ZINC000100422850
ZINC100422850
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