Vitas-M small molecule compound
4-[(E)-{2-[(3-tert-butyl-1H-pyrazol-5-yl)carbonyl]hydrazinylidene}methyl]-2-methoxyphenyl 1,3-benzodioxole-5-carboxylate
Catalog ID
STK745190
SMILES COc1cc(/C=N/NC(=O)c2[nH]nc(c2)C(C)(C)C)ccc1OC(=O)c1ccc2c(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 C24H24N4O6 MW 464.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O6/c1-24(2,3)21-11-16(26-27-21)22(29)28-25-12-14-5-7-18(19(9-14)31-4)34-23(30)15-6-8-17-20(10-15)33-13-32-17/h5-12H,13H2,1-4H3,(H,26,27)(H,28,29)/b25-12+InChIKey
FFBXLFCFDMLHSF-BRJLIKDPSA-NSynonyms
(4((E)((5TERTBUTYL1HPYRAZOLE3CARBONYL)HYDRAZINYLIDENE)METHYL)2METHOXYPHENYL)13BENZODIOXOLE5CARBOXYLATE
(E)4((2(3(tertbutyl)1Hpyrazole5carbonyl)hydrazono)methyl)2methoxyphenylbenzo(d)(13)dioxole5carboxylate
4((E)(2((3tertbutyl1Hpyrazol5yl)carbonyl)hydrazinylidene)methyl)2methoxyphenyl13benzodioxole5carboxylate
CC(C)(C)C1=CC(=NN1)C(=O)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC4=C(C=C3)OCO4)OC
COc1cc(C=NNC(=O)c2(nH)nc(c2)C(C)(C)C)ccc1OC(=O)c1ccc2c(c1)OCO2
InChI=1SC24H24N4O6c124(23)211116(262721)22(29)282512145718(19(914)314)3423(30)15681720(1015)33133217h512H13H214H3(H2627)(H2829)b2512+
MFCD02236460
ZINC000009311077
ZINC33352396
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