Vitas-M small molecule compound

2-(4-butoxyphenyl)-5-(4-nitrophenyl)-1,3,4-thiadiazole

Catalog ID
STK025608
SMILES CCCCOc1ccc(cc1)c1nnc(s1)c1ccc(cc1)[N+](=O)[O-]

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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 C18H17N3O3S MW 355.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O3S/c1-2-3-12-24-16-10-6-14(7-11-16)18-20-19-17(25-18)13-4-8-15(9-5-13)21(22)23/h4-11H,2-3,12H2,1H3
InChIKey
GLCKJAYDMGYYPV-UHFFFAOYSA-N
Synonyms

2(4BUTOXYPHENYL)5(4NITROPHENYL)134THIADIAZOLE
CCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)(N+)(=O)(O)
CCCCOc1ccc(cc1)c1nnc(s1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC18H17N3O3Sc12312241610614(71116)18201917(2518)134815(9513)21(22)23h411H2312H21H3
MFCD00642511
STK025608
ZINC000003030655
ZINC03030655
ZINC3030655

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Available files

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