Vitas-M small molecule compound

N-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide

Catalog ID
STK375837
SMILES Cc1cccc(c1)C(=O)Nc1nnc(s1)COc1ccc(cc1)C(C)(C)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 C21H23N3O2S MW 381.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O2S/c1-14-6-5-7-15(12-14)19(25)22-20-24-23-18(27-20)13-26-17-10-8-16(9-11-17)21(2,3)4/h5-12H,13H2,1-4H3,(H,22,24,25)
InChIKey
JWXQUVSEQOTSGG-UHFFFAOYSA-N
Synonyms

CC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)COC3=CC=C(C=C3)C(C)(C)C
InChI=1SC21H23N3O2Sc11465715(1214)19(25)2220242318(2720)13261710816(91117)21(23)4h512H13H214H3(H222425)
MFCD01130422
N(5((4tertbutylphenoxy)methyl)134thiadiazol2yl)3methylbenzamide
N(5(4TERTBUTYLPHENOXYMETHYL)(134)THIADIAZOL2YL)3METHYLBENZAMIDE
ZINC000000811253
ZINC00811253
ZINC811253

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Available files

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