Vitas-M small molecule compound

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2,3-dihydro-1H-indol-1-ylmethyl)-N'-[(E)-{3-ethoxy-4-[(2-methylbenzyl)oxy]phenyl}methylidene]-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STK545453
SMILES CCOc1cc(/C=N/NC(=O)c2nnn(c2CN2CCc3c2cccc3)c2nonc2N)ccc1OCc1ccccc1C

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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 C31H31N9O4 MW 593.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N9O4/c1-3-42-27-16-21(12-13-26(27)43-19-23-10-5-4-8-20(23)2)17-33-35-31(41)28-25(40(38-34-28)30-29(32)36-44-37-30)18-39-15-14-22-9-6-7-11-24(22)39/h4-13,16-17H,3,14-15,18-19H2,1-2H3,(H2,32,36)(H,35,41)/b33-17+
InChIKey
RVYCKGHPBUNKKP-ATZGPIRCSA-N
Synonyms

(E)1(4amino125oxadiazol3yl)N(3ethoxy4((2methylbenzyl)oxy)benzylidene)5(indolin1ylmethyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(23dihydro1Hindol1ylmethyl)N((E)(3ethoxy4((2methylbenzyl)oxy)phenyl)methylidene)1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)5(23DIHYDROINDOL1YLMETHYL)N((E)(3ETHOXY4((2METHYLPHENYL)METHOXY)PHENYL)METHYLIDENEAMINO)TRIAZOLE4CARBOXAMIDE
CCOC1=C(C=CC(=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN4CCC5=CC=CC=C54)OCC6=CC=CC=C6C
CCOc1cc(C=NNC(=O)c2nnn(c2CN2CCc3c2cccc3)c2nonc2N)ccc1OCc1ccccc1C
InChI=1SC31H31N9O4c1342271621(121326(27)4319231054820(23)2)17333531(41)2825(40(383428)3029(32)36443730)18391514229671124(22)39h4131617H314151819H212H3(H23236)(H3541)b3317+
MFCD03290491
ZINC000001846398
ZINC102441512

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Available files

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