Vitas-M small molecule compound
4-{4-[(4-chlorophenoxy)methyl]piperazin-1-yl}-4-oxo-N-[(2Z)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Catalog ID
STL055235
SMILES O=C(N1CCN(CC1)COc1ccc(cc1)Cl)CCC(=O)/N=c\1/[nH]nc(s1)C(F)(F)F
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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 C18H19ClF3N5O3S MW 477.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19ClF3N5O3S/c19-12-1-3-13(4-2-12)30-11-26-7-9-27(10-8-26)15(29)6-5-14(28)23-17-25-24-16(31-17)18(20,21)22/h1-4H,5-11H2,(H,23,25,28)InChIKey
MGAVICWOGJOZNN-UHFFFAOYSA-NSynonyms
713091-16-84(4((4chlorophenoxy)methyl)piperazin1yl)4oxoN((2Z)5(trifluoromethyl)134thiadiazol2(3H)ylidene)butanamide
4(4((4CHLOROPHENOXY)METHYL)PIPERAZIN1YL)4OXON(5(TRIFLUOROMETHYL)134THIADIAZOL2YL)BUTANAMIDE
713091168
C1CN(CCN1COC2=CC=C(C=C2)Cl)C(=O)CCC(=O)NC3=NN=C(S3)C(F)(F)F
InChI=1SC18H19ClF3N5O3Sc19121313(4212)3011267927(10826)15(29)6514(28)2317252416(3117)18(2021)22h14H511H2(H232528)
MFCD05725260
O=C(N1CCN(CC1)COc1ccc(cc1)Cl)CCC(=O)N=c1(nH)nc(s1)C(F)(F)F
ZINC000017206316
ZINC17206316
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