Vitas-M small molecule compound

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[2-(benzyloxy)-3-methoxyphenyl]methylidene}-5-(morpholin-4-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STK551962
SMILES COc1cccc(c1OCc1ccccc1)/C=N/NC(=O)c1nnn(c1CN1CCOCC1)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 C25H27N9O5 MW 533.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N9O5/c1-36-20-9-5-8-18(22(20)38-16-17-6-3-2-4-7-17)14-27-29-25(35)21-19(15-33-10-12-37-13-11-33)34(32-28-21)24-23(26)30-39-31-24/h2-9,14H,10-13,15-16H2,1H3,(H2,26,30)(H,29,35)/b27-14+
InChIKey
RQDPOVVGTMJHGX-MZJWZYIUSA-N
Synonyms
489422-11-9
(E)1(4amino125oxadiazol3yl)N(2(benzyloxy)3methoxybenzylidene)5(morpholinomethyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(2(benzyloxy)3methoxyphenyl)methylidene)5(morpholin4ylmethyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(3methoxy2phenylmethoxyphenyl)methylideneamino)5(morpholin4ylmethyl)triazole4carboxamide
489422119
COC1=CC=CC(=C1OCC2=CC=CC=C2)C=NNC(=O)C3=C(N(N=N3)C4=NON=C4N)CN5CCOCC5
COc1cccc(c1OCc1ccccc1)C=NNC(=O)c1nnn(c1CN1CCOCC1)c1nonc1N
InChI=1SC25H27N9O5c1362095818(22(20)3816176324717)14272925(35)2119(1533101237131133)34(322821)2423(26)30393124h2914H10131516H21H3(H22630)(H2935)b2714+
MFCD03296745
ZINC000101023877
ZINC102460186

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Available files

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