Vitas-M small molecule compound
(4E)-2-(1H-benzimidazol-2-yl)-4-{1-[(1,3-benzodioxol-5-ylmethyl)amino]ethylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK150017
SMILES C/C(=C\1/C(=NN(C1=O)c1nc2c([nH]1)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 C21H19N5O3 MW 389.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O3/c1-12(22-10-14-7-8-17-18(9-14)29-11-28-17)19-13(2)25-26(20(19)27)21-23-15-5-3-4-6-16(15)24-21/h3-9,22H,10-11H2,1-2H3,(H,23,24)/b19-12+InChIKey
ZSRKTOKAIMIIFR-XDHOZWIPSA-NSynonyms
(4E)2(1HBENZIMIDAZOL2YL)4(1((13BENZODIOXOL5YLMETHYL)AMINO)ETHYLIDENE)5METHYL24DIHYDRO3HPYRAZOL3ONE
(4E)2(1HBENZIMIDAZOL2YL)4(1(13BENZODIOXOL5YLMETHYLAMINO)ETHYLIDENE)5METHYLPYRAZOL3ONE
1BENZIMIDAZOL2YL4(((2HBENZO(34D)13DIOXOLAN5YLMETHYL)AMINO)ETHYLIDENE)3METHYL12DIAZOLIN5ONE
CC(=C1C(=NN(C1=O)c1nc2c((nH)1)cccc2)C)NCc1ccc2c(c1)OCO2
CC1=NN(C(=O)C1=C(C)NCC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5N4
InChI=1SC21H19N5O3c112(221014781718(914)29112817)1913(2)2526(20(19)27)212315534616(15)2421h3922H1011H212H3(H2324)b1912+
MFCD04222005
ZINC000018254540
ZINC18254540
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