Vitas-M small molecule compound
2-methoxy-4-[(E)-{2-[(2,4,6-tribromophenoxy)acetyl]hydrazinylidene}methyl]phenyl 1,3-benzodioxole-5-carboxylate
Catalog ID
STK098848
SMILES COc1cc(/C=N/NC(=O)COc2c(Br)cc(cc2Br)Br)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 C24H17Br3N2O7 MW 685.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17Br3N2O7/c1-32-20-6-13(10-28-29-22(30)11-33-23-16(26)8-15(25)9-17(23)27)2-4-19(20)36-24(31)14-3-5-18-21(7-14)35-12-34-18/h2-10H,11-12H2,1H3,(H,29,30)/b28-10+InChIKey
AQWOIZMELLMXMV-ORBVJSQLSA-NSynonyms
(2methoxy4((E)((2(246tribromophenoxy)acetyl)hydrazinylidene)methyl)phenyl)13benzodioxole5carboxylate
2METHOXY4((E)(2((246TRIBROMOPHENOXY)ACETYL)HYDRAZINYLIDENE)METHYL)PHENYL13BENZODIOXOLE5CARBOXYLATE
COC1=C(C=CC(=C1)C=NNC(=O)COC2=C(C=C(C=C2Br)Br)Br)OC(=O)C3=CC4=C(C=C3)OCO4
COc1cc(C=NNC(=O)COc2c(Br)cc(cc2Br)Br)ccc1OC(=O)c1ccc2c(c1)OCO2
InChI=1SC24H17Br3N2O7c13220613(10282922(30)11332316(26)815(25)917(23)27)2419(20)3624(31)14351821(714)35123418h210H1112H21H3(H2930)b2810+
MFCD00305070
STK098848
ZINC000150418104
ZINC150602911
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