Vitas-M small molecule compound

N-[(2Z)-1,3-benzothiazol-2(3H)-ylidene]-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanamide

Catalog ID
STK938157
SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)CCC(=O)/N=c/1\sc2c([nH]1)cccc2

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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 C21H21FN4O2S MW 412.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21FN4O2S/c22-15-5-7-16(8-6-15)25-11-13-26(14-12-25)20(28)10-9-19(27)24-21-23-17-3-1-2-4-18(17)29-21/h1-8H,9-14H2,(H,23,24,27)
InChIKey
QHDRIBNKMZUBJD-UHFFFAOYSA-N
Synonyms
1219566-92-3
1219566923
C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCC(=O)NC3=NC4=CC=CC=C4S3
Fc1ccc(cc1)N1CCN(CC1)C(=O)CCC(=O)N=c1sc2c((nH)1)cccc2
InChI=1SC21H21FN4O2Sc22155716(8615)25111326(141225)20(28)10919(27)24212317312418(17)2921h18H914H2(H232427)
MFCD18178885
N((2Z)13benzothiazol2(3H)ylidene)4(4(4fluorophenyl)piperazin1yl)4oxobutanamide
ZINC000040287612
ZINC40287612

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Available files

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