Vitas-M small molecule compound

(2E)-3-(3-chlorophenyl)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide

Catalog ID
STK440270
SMILES CCSc1nnc(s1)NC(=O)/C=C/c1cccc(c1)Cl

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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 C13H12ClN3OS2 MW 325.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12ClN3OS2/c1-2-19-13-17-16-12(20-13)15-11(18)7-6-9-4-3-5-10(14)8-9/h3-8H,2H2,1H3,(H,15,16,18)/b7-6+
InChIKey
PPKQLFQDMSCBTG-VOTSOKGWSA-N
Synonyms

(2E)3(3chlorophenyl)N(5(ethylsulfanyl)134thiadiazol2yl)prop2enamide
(2E)3(3CHLOROPHENYL)N(5ETHYLTHIO(134THIADIAZOL2YL))PROP2ENAMIDE
(E)3(3CHLOROPHENYL)N(5ETHYLSULFANYL134THIADIAZOL2YL)PROP2ENAMIDE
CCSC1=NN=C(S1)NC(=O)C=CC2=CC(=CC=C2)Cl
CCSc1nnc(s1)NC(=O)C=Cc1cccc(c1)Cl
InChI=1SC13H12ClN3OS2c121913171612(2013)1511(18)76943510(14)89h38H2H21H3(H151618)b76+
MFCD03380026
ZINC000000474740
ZINC00474740
ZINC474740

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Available files

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