Vitas-M small molecule compound
4-[4-(4-fluorobenzyl)piperazin-1-yl]-N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
Catalog ID
STL053425
SMILES CC(Cc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)Cc2ccc(cc2)F)/s1)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 C21H28FN5O2S MW 433.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28FN5O2S/c1-15(2)13-19-24-25-21(30-19)23-18(28)7-8-20(29)27-11-9-26(10-12-27)14-16-3-5-17(22)6-4-16/h3-6,15H,7-14H2,1-2H3,(H,23,25,28)InChIKey
LAQBYFZSEQIHBA-UHFFFAOYSA-NSynonyms
714228-76-94(4((4FLUOROPHENYL)METHYL)PIPERAZIN1YL)N(5(2METHYLPROPYL)134THIADIAZOL2YL)4OXOBUTANAMIDE
4(4(4fluorobenzyl)piperazin1yl)N((2Z)5(2methylpropyl)134thiadiazol2(3H)ylidene)4oxobutanamide
714228769
CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)F
CC(Cc1n(nH)c(=NC(=O)CCC(=O)N2CCN(CC2)Cc2ccc(cc2)F)s1)C
InChI=1SC21H28FN5O2Sc115(2)1319242521(3019)2318(28)7820(29)2711926(101227)14163517(22)6416h3615H714H212H3(H232528)
MFCD05728291
ZINC000013776562
ZINC13776562
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