Vitas-M small molecule compound

4-[(E)-{2-[(5-phenyl-2H-tetrazol-2-yl)acetyl]hydrazinylidene}methyl]phenyl 4-tert-butylbenzoate

Catalog ID
STK165952
SMILES O=C(Cn1nnc(n1)c1ccccc1)N/N=C/c1ccc(cc1)OC(=O)c1ccc(cc1)C(C)(C)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 C27H26N6O3 MW 482.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N6O3/c1-27(2,3)22-13-11-21(12-14-22)26(35)36-23-15-9-19(10-16-23)17-28-29-24(34)18-33-31-25(30-32-33)20-7-5-4-6-8-20/h4-17H,18H2,1-3H3,(H,29,34)/b28-17+
InChIKey
VRLJVCRVDUHTDL-OGLMXYFKSA-N
Synonyms

(4((E)((2(5phenyltetrazol2yl)acetyl)hydrazinylidene)methyl)phenyl)4tertbutylbenzoate
4((E)(2((5PHENYL2HTETRAZOL2YL)ACETYL)HYDRAZINYLIDENE)METHYL)PHENYL4TERTBUTYLBENZOATE
CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)CN3N=C(N=N3)C4=CC=CC=C4
InChI=1SC27H26N6O3c127(23)22131121(121422)26(35)362315919(101623)17282924(34)18333125(303233)207546820h417H18H213H3(H2934)b2817+
MFCD01129274
O=C(Cn1nnc(n1)c1ccccc1)NN=Cc1ccc(cc1)OC(=O)c1ccc(cc1)C(C)(C)C
ZINC000004132528
ZINC38193685

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Available files

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