Vitas-M small molecule compound
2-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-4-{[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]carbonyl}-1H-1,2,3-triazol-5-yl]methyl}amino)benzamide
Catalog ID
STL005049
SMILES O=C(c1nnn(c1CNc1ccccc1C(=O)N)c1nonc1N)N/N=C/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 C21H18N10O5 MW 490.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N10O5/c22-18-20(29-36-28-18)31-14(9-24-13-4-2-1-3-12(13)19(23)32)17(26-30-31)21(33)27-25-8-11-5-6-15-16(7-11)35-10-34-15/h1-8,24H,9-10H2,(H2,22,28)(H2,23,32)(H,27,33)/b25-8+InChIKey
ULCBXBDTNZGXLL-ZNLRHDTNSA-NSynonyms
861139-14-2(E)2(((1(4amino125oxadiazol3yl)4(2(benzo(d)(13)dioxol5ylmethylene)hydrazinecarbonyl)1H123triazol5yl)methyl)amino)benzamide
1(4amino125oxadiazol3yl)N((E)13benzodioxol5ylmethylideneamino)5((2carbamoylanilino)methyl)triazole4carboxamide
2(((1(4amino125oxadiazol3yl)4(((2E)2(13benzodioxol5ylmethylidene)hydrazinyl)carbonyl)1H123triazol5yl)methyl)amino)benzamide
861139142
C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=C(N(N=N3)C4=NON=C4N)CNC5=CC=CC=C5C(=O)N
InChI=1SC21H18N10O5c221820(29362818)3114(92413421312(13)19(23)32)17(263031)21(33)2725811561516(711)35103415h1824H910H2(H22228)(H22332)(H2733)b258+
MFCD05683757
O=C(c1nnn(c1CNc1ccccc1C(=O)N)c1nonc1N)NN=Cc1ccc2c(c1)OCO2
ZINC000009308932
ZINC33416332
Check stock
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Check stock on Vitas-MAvailable files
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