Vitas-M small molecule compound

N-(3-{(1E)-1-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]ethyl}phenyl)acetamide

Catalog ID
STL004704
SMILES CC(=O)Nc1cccc(c1)/C(=N/NC(=O)c1nnn(c1CSc1ccccc1)c1nonc1N)/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 C22H21N9O3S MW 491.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N9O3S/c1-13(15-7-6-8-16(11-15)24-14(2)32)25-27-22(33)19-18(12-35-17-9-4-3-5-10-17)31(30-26-19)21-20(23)28-34-29-21/h3-11H,12H2,1-2H3,(H2,23,28)(H,24,32)(H,27,33)/b25-13+
InChIKey
NZYNTJMDHDBPES-DHRITJCHSA-N
Synonyms
578749-50-5
(E)N(3(1(2(1(4amino125oxadiazol3yl)5((phenylthio)methyl)1H123triazole4carbonyl)hydrazono)ethyl)phenyl)acetamide
578749505
CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=CC=CC=C3)C4=CC(=CC=C4)NC(=O)C
CC(=O)Nc1cccc(c1)C(=NNC(=O)c1nnn(c1CSc1ccccc1)c1nonc1N)C
InChI=1SC22H21N9O3Sc113(1576816(1115)2414(2)32)252722(33)1918(12351794351017)31(302619)2120(23)28342921h311H12H212H3(H22328)(H2432)(H2733)b2513+
MFCD04025044
N((E)1(3acetamidophenyl)ethylideneamino)1(4amino125oxadiazol3yl)5(phenylsulfanylmethyl)triazole4carboxamide
N(3((1E)1(2((1(4amino125oxadiazol3yl)5((phenylsulfanyl)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)ethyl)phenyl)acetamide
ZINC000009332047
ZINC35190132

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Available files

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