Vitas-M small molecule compound

3-methoxy-N-[(2Z)-5-(1-phenylethyl)-1,3,4-thiadiazol-2(3H)-ylidene]benzamide

Catalog ID
STK617543
SMILES COc1cccc(c1)C(=O)/N=c\1/[nH]nc(s1)C(c1ccccc1)C

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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 C18H17N3O2S MW 339.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O2S/c1-12(13-7-4-3-5-8-13)17-20-21-18(24-17)19-16(22)14-9-6-10-15(11-14)23-2/h3-12H,1-2H3,(H,19,21,22)
InChIKey
RUMDJUOCFCYBOM-UHFFFAOYSA-N
Synonyms

3methoxyN((2Z)5(1phenylethyl)134thiadiazol2(3H)ylidene)benzamide
3METHOXYN(5(1PHENYLETHYL)134THIADIAZOL2YL)BENZAMIDE
CC(C1=CC=CC=C1)C2=NN=C(S2)NC(=O)C3=CC(=CC=C3)OC
COc1cccc(c1)C(=O)N=c1(nH)nc(s1)C(c1ccccc1)C
InChI=1SC18H17N3O2Sc112(137435813)17202118(2417)1916(22)14961015(1114)232h312H12H3(H192122)
MFCD09791083
ZINC000013552843
ZINC000013552845
ZINC00183220

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Available files

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