Vitas-M small molecule compound

5-bromo-N-{[4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl}-2-methoxybenzamide

Catalog ID
STK390149
SMILES CCN1CCN(CC1)c1ccc(cc1)NC(=S)NC(=O)c1cc(Br)ccc1OC

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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 C21H25BrN4O2S MW 477.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25BrN4O2S/c1-3-25-10-12-26(13-11-25)17-7-5-16(6-8-17)23-21(29)24-20(27)18-14-15(22)4-9-19(18)28-2/h4-9,14H,3,10-13H2,1-2H3,(H2,23,24,27,29)
InChIKey
RQTDQSUGFQBBIW-UHFFFAOYSA-N
Synonyms

(5BROMO2METHOXYPHENYL)N(((4(4ETHYLPIPERAZINYL)PHENYL)AMINO)THIOXOMETHYL)CARBOXAMIDE
5bromoN((4(4ethylpiperazin1yl)phenyl)carbamothioyl)2methoxybenzamide
CCN1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OC
InChI=1SC21H25BrN4O2Sc1325101226(131125)177516(6817)2321(29)2420(27)181415(22)4919(18)282h4914H31013H212H3(H223242729)
MFCD03849213
ZINC000004123074
ZINC4123074

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Available files

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