Vitas-M small molecule compound

3-[(1Z)-1-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-{[(2-carbamoylphenyl)amino]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)ethyl]phenolate

Catalog ID
STL051907
SMILES [O-]c1cccc(c1)/C(=N\NC(=O)c1nnn(c1CNc1ccccc1C(=O)N)c1nonc1[NH3+])/C

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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/c1-11(12-5-4-6-13(32)9-12)25-27-21(34)17-16(31(30-26-17)20-18(22)28-35-29-20)10-24-15-8-3-2-7-14(15)19(23)33/h2-9,24,32H,10H2,1H3,(H2,22,28)(H2,23,33)(H,27,34)/b25-11-
InChIKey
QKLNFSPNMRITMC-GATIEOLUSA-N
Synonyms
861111-29-7
(O)c1cccc(c1)C(=NNC(=O)c1nnn(c1CNc1ccccc1C(=O)N)c1nonc1(NH3+))C
1(4AMINO125OXADIAZOL3YL)5((2CARBAMOYLANILINO)METHYL)N((Z)1(3HYDROXYPHENYL)ETHYLIDENEAMINO)TRIAZOLE4CARBOXAMIDE
3((1Z)1(2((1(4ammonio125oxadiazol3yl)5(((2carbamoylphenyl)amino)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)ethyl)phenolate
3((Z)N((1(4AZANIUMYL125OXADIAZOL3YL)5((2CARBAMOYLANILINO)METHYL)TRIAZOLE4CARBONYL)AMINO)CMETHYLCARBONIMIDOYL)PHENOLATE
861111297
CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)CNC3=CC=CC=C3C(=O)N)C4=CC(=CC=C4)O
InChI=1SC21H20N10O4c111(1254613(32)912)252721(34)1716(31(302617)2018(22)28352920)102415832714(15)19(23)33h292432H10H21H3(H22228)(H22333)(H2734)b2511
MFCD05682569
ZINC000009307303
ZINC33590203

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Available files

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