Vitas-M small molecule compound

N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]heptanamide

Catalog ID
STK712020
SMILES CCCCCCC(=O)Nc1nnc(s1)c1ccc2c(c1)OCO2

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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 C16H19N3O3S MW 333.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N3O3S/c1-2-3-4-5-6-14(20)17-16-19-18-15(23-16)11-7-8-12-13(9-11)22-10-21-12/h7-9H,2-6,10H2,1H3,(H,17,19,20)
InChIKey
XEVRLZBJHVFJDC-UHFFFAOYSA-N
Synonyms

CCCCCCC(=O)NC1=NN=C(S1)C2=CC3=C(C=C2)OCO3
InChI=1SC16H19N3O3Sc12345614(20)1716191815(2316)11781213(911)22102112h79H2610H21H3(H171920)
MFCD01364266
N(5(13benzodioxol5yl)134thiadiazol2yl)heptanamide
N(5(benzo(d)(13)dioxol5yl)134thiadiazol2yl)heptanamide
ZINC000013548545
ZINC13548545

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.