Vitas-M small molecule compound

2-[(4-methoxybenzyl)sulfanyl]-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,3,4-thiadiazole

Catalog ID
STL308076
SMILES COc1ccc(cc1)CSc1nnc(s1)SC/C=C/c1ccccc1

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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 C19H18N2OS3 MW 386.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2OS3/c1-22-17-11-9-16(10-12-17)14-24-19-21-20-18(25-19)23-13-5-8-15-6-3-2-4-7-15/h2-12H,13-14H2,1H3/b8-5+
InChIKey
YRYUUKBQQGFTLQ-VMPITWQZSA-N
Synonyms
499103-54-7
1((5((2E)3PHENYLPROP2ENYLTHIO)(134THIADIAZOL2YLTHIO))METHYL)4METHOXYBENZENE
2(((4METHOXYPHENYL)METHYL)SULFANYL)5(((2E)3PHENYLPROP2EN1YL)SULFANYL)134THIADIAZOLE
2((4methoxybenzyl)sulfanyl)5(((2E)3phenylprop2en1yl)sulfanyl)134thiadiazole
2((4METHOXYPHENYL)METHYLSULFANYL)5((E)3PHENYLPROP2ENYL)SULFANYL134THIADIAZOLE
2(cinnamylthio)5((4methoxybenzyl)thio)134thiadiazole
499103547
COC1=CC=C(C=C1)CSC2=NN=C(S2)SCC=CC3=CC=CC=C3
COc1ccc(cc1)CSc1nnc(s1)SCC=Cc1ccccc1
InChI=1SC19H18N2OS3c1221711916(101217)142419212018(2519)231358156324715h212H1314H21H3b85+
MFCD03224051
ZINC000002209476
ZINC02209476
ZINC2209476

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Available files

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