Vitas-M small molecule compound
3-[(Z)-(2-{[(4-methylphenyl)amino]acetyl}hydrazinylidene)methyl]phenyl 1,3-benzodioxole-5-carboxylate (non-preferred name)
Catalog ID
STK207702
SMILES O=C(CNc1ccc(cc1)C)N/N=C\c1cccc(c1)OC(=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 C24H21N3O5 MW 431.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O5/c1-16-5-8-19(9-6-16)25-14-23(28)27-26-13-17-3-2-4-20(11-17)32-24(29)18-7-10-21-22(12-18)31-15-30-21/h2-13,25H,14-15H2,1H3,(H,27,28)/b26-13-InChIKey
JAQYICUORPRYBH-ZMFRSBBQSA-NSynonyms
(3((Z)((2(4METHYLANILINO)ACETYL)HYDRAZINYLIDENE)METHYL)PHENYL)13BENZODIOXOLE5CARBOXYLATE
3((1Z)2(2((4METHYLPHENYL)AMINO)ACETYLAMINO)2AZAVINYL)PHENYL2HBENZO(34D)13DIOXOLENE5CARBOXYLATE
3((Z)(2(((4methylphenyl)amino)acetyl)hydrazinylidene)methyl)phenyl13benzodioxole5carboxylate(nonpreferredname)
CC1=CC=C(C=C1)NCC(=O)NN=CC2=CC(=CC=C2)OC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC24H21N3O5c1165819(9616)251423(28)2726131732420(1117)3224(29)187102122(1218)31153021h21325H1415H21H3(H2728)b2613
MFCD00787208
O=C(CNc1ccc(cc1)C)NN=Cc1cccc(c1)OC(=O)c1ccc2c(c1)OCO2
ZINC000030817630
ZINC1215492
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