Vitas-M small molecule compound

N-[(2E)-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]cyclohexanecarboxamide

Catalog ID
STK618761
SMILES Cc1cccc(c1)OCc1n[nH]/c(=N\C(=O)C2CCCCC2)/s1

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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 C17H21N3O2S MW 331.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3O2S/c1-12-6-5-9-14(10-12)22-11-15-19-20-17(23-15)18-16(21)13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,18,20,21)
InChIKey
HJXRHOFXYLXQAY-UHFFFAOYSA-N
Synonyms

CC1=CC(=CC=C1)OCC2=NN=C(S2)NC(=O)C3CCCCC3
Cc1cccc(c1)OCc1n(nH)c(=NC(=O)C2CCCCC2)s1
InChI=1SC17H21N3O2Sc11265914(1012)221115192017(2315)1816(21)137324813h5691013H247811H21H3(H182021)
MFCD09797011
N((2E)5((3methylphenoxy)methyl)134thiadiazol2(3H)ylidene)cyclohexanecarboxamide
N(5((3METHYLPHENOXY)METHYL)134THIADIAZOL2YL)CYCLOHEXANECARBOXAMIDE
ZINC000004857197
ZINC04857197
ZINC4857197

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Available files

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