Vitas-M small molecule compound

ethyl [(5Z)-5-({[(4-methylphenyl)sulfanyl]acetyl}imino)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetate

Catalog ID
STK568213
SMILES CCOC(=O)Cc1n[nH]/c(=N/C(=O)CSc2ccc(cc2)C)/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 C15H17N3O3S2 MW 351.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17N3O3S2/c1-3-21-14(20)8-13-17-18-15(23-13)16-12(19)9-22-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,16,18,19)
InChIKey
XAIBWKKDTSVSEL-UHFFFAOYSA-N
Synonyms
714940-77-9
(5(2PTOLYLSULFANYLACETYLAMINO)(134)THIADIAZOL2YL)ACETICACIDETHYLESTER
714940779
CCOC(=O)CC1=NN=C(S1)NC(=O)CSC2=CC=C(C=C2)C
CCOC(=O)Cc1n(nH)c(=NC(=O)CSc2ccc(cc2)C)s1
ethyl((5Z)5((((4methylphenyl)sulfanyl)acetyl)imino)45dihydro134thiadiazol2yl)acetate
ETHYL(5((((4METHYLPHENYL)SULFANYL)ACETYL)AMINO)134THIADIAZOL2YL)ACETATE
ETHYL2(5((2(4METHYLPHENYL)SULFANYLACETYL)AMINO)134THIADIAZOL2YL)ACETATE
InChI=1SC15H17N3O3S2c132114(20)813171815(2313)1612(19)922116410(2)5711h47H389H212H3(H161819)
MFCD05736200
ZINC000002453849
ZINC02453849
ZINC2453849

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Available files

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