Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-(1-{[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]amino}ethylidene)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK232017
SMILES C/C(=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)C)/Nc1ccc(cc1)Cn1cncn1
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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 C22H19N7OS MW 429.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N7OS/c1-14(25-17-9-7-16(8-10-17)11-28-13-23-12-24-28)20-15(2)27-29(21(20)30)22-26-18-5-3-4-6-19(18)31-22/h3-10,12-13,25H,11H2,1-2H3/b20-14-InChIKey
AOMFBBIJIAHHLM-ZHZULCJRSA-NSynonyms
(4Z)2(13benzothiazol2yl)5methyl4(1((4(1H124triazol1ylmethyl)phenyl)amino)ethylidene)24dihydro3Hpyrazol3one
(4Z)2(13BENZOTHIAZOL2YL)5METHYL4(1(4(124TRIAZOL1YLMETHYL)ANILINO)ETHYLIDENE)PYRAZOL3ONE
1BENZOTHIAZOL2YL3METHYL4(((4(124TRIAZOLYLMETHYL)PHENYL)AMINO)ETHYLIDENE)12DIAZOLIN5ONE
CC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)C)Nc1ccc(cc1)Cn1cncn1
CC1=NN(C(=O)C1=C(C)NC2=CC=C(C=C2)CN3C=NC=N3)C4=NC5=CC=CC=C5S4
InChI=1SC22H19N7OSc114(25179716(81017)11281323122428)2015(2)2729(21(20)30)222618534619(18)3122h310121325H11H212H3b2014
MFCD08146619
ZINC000100422626
ZINC100422626
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