Vitas-M small molecule compound

2-(4-methoxybenzyl)-3,3,5-trimethyl-N-phenylpyrazolidine-1-carbothioamide

Catalog ID
STK125538
SMILES COc1ccc(cc1)CN1N(C(CC1(C)C)C)C(=S)Nc1ccccc1

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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 C21H27N3OS MW 369.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3OS/c1-16-14-21(2,3)23(15-17-10-12-19(25-4)13-11-17)24(16)20(26)22-18-8-6-5-7-9-18/h5-13,16H,14-15H2,1-4H3,(H,22,26)
InChIKey
WAZLRSQVWSWCKQ-UHFFFAOYSA-N
Synonyms

2((4METHOXYPHENYL)METHYL)335TRIMETHYLNPHENYLPYRAZOLIDINE1CARBOTHIOAMIDE
2(4METHOXYBENZYL)335TRIMETHYLNPHENYLPYRAZOLIDINE1CARBOTHIOAMIDE
CC1CC(N(N1C(=S)NC2=CC=CC=C2)CC3=CC=C(C=C3)OC)(C)C
InChI=1SC21H27N3OSc1161421(23)23(1517101219(254)131117)24(16)20(26)22188657918h51316H1415H214H3(H2226)
MFCD06662640
ZINC000004676618
ZINC000004676621

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Available files

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