Vitas-M small molecule compound

N-{5-[(E)-2-(4-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-yl}-2-ethylbutanamide

Catalog ID
STK154098
SMILES CCC(C(=O)Nc1nnc(s1)/C=C/c1ccc(cc1)Cl)CC

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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 C16H18ClN3OS MW 335.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18ClN3OS/c1-3-12(4-2)15(21)18-16-20-19-14(22-16)10-7-11-5-8-13(17)9-6-11/h5-10,12H,3-4H2,1-2H3,(H,18,20,21)/b10-7+
InChIKey
RGKKOXXLTOIGSA-JXMROGBWSA-N
Synonyms

CCC(C(=O)Nc1nnc(s1)C=Cc1ccc(cc1)Cl)CC
CCC(CC)C(=O)NC1=NN=C(S1)C=CC2=CC=C(C=C2)Cl
InChI=1SC16H18ClN3OSc1312(42)15(21)1816201914(2216)107115813(17)9611h51012H34H212H3(H182021)b107+
MFCD08673267
N(5((E)2(4CHLOROPHENYL)ETHENYL)134THIADIAZOL2YL)2ETHYLBUTANAMIDE
ZINC000004695012
ZINC04695012
ZINC4695012

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Available files

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