Vitas-M small molecule compound

2-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-4-({(2E)-2-[(2E)-3-(furan-2-yl)-2-methylprop-2-en-1-ylidene]hydrazinyl}carbonyl)-1H-1,2,3-triazol-5-yl]methyl}amino)benzamide

Catalog ID
STL160303
SMILES C/C(=C\c1ccco1)/C=N/NC(=O)c1nnn(c1CNc1ccccc1C(=O)N)c1nonc1N

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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 C21H20N10O4 MW 476.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N10O4/c1-12(9-13-5-4-8-34-13)10-25-27-21(33)17-16(31(30-26-17)20-18(22)28-35-29-20)11-24-15-7-3-2-6-14(15)19(23)32/h2-10,24H,11H2,1H3,(H2,22,28)(H2,23,32)(H,27,33)/b12-9+,25-10+
InChIKey
MMXGYYFDXXXEED-ZKNISXQMSA-N
Synonyms
849027-57-2
1(4AMINO125OXADIAZOL3YL)5((2CARBAMOYLANILINO)METHYL)N((E)((E)3(FURAN2YL)2METHYLPROP2ENYLIDENE)AMINO)TRIAZOLE4CARBOXAMIDE
2(((1(4amino125oxadiazol3yl)4(((2E)2((2E)3(furan2yl)2methylprop2en1ylidene)hydrazinyl)carbonyl)1H123triazol5yl)methyl)amino)benzamide
2(((1(4amino125oxadiazol3yl)4((E)2((E)3(furan2yl)2methylallylidene)hydrazinecarbonyl)1H123triazol5yl)methyl)amino)benzamide
849027572
CC(=CC1=CC=CO1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CNC4=CC=CC=C4C(=O)N
CC(=Cc1ccco1)C=NNC(=O)c1nnn(c1CNc1ccccc1C(=O)N)c1nonc1N
InChI=1SC21H20N10O4c112(9135483413)10252721(33)1716(31(302617)2018(22)28352920)112415732614(15)19(23)32h21024H11H21H3(H22228)(H22332)(H2733)b129+2510+
MFCD05681539
ZINC000013788351
ZINC35199016

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Available files

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