Vitas-M small molecule compound

4-oxo-4-(4-{[4-(propan-2-yl)phenyl]sulfonyl}piperazin-1-yl)-N-[(2Z)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide

Catalog ID
STL057170
SMILES O=C(/N=c\1/[nH]nc(s1)C(F)(F)F)CCC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)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 C20H24F3N5O4S2 MW 519.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24F3N5O4S2/c1-13(2)14-3-5-15(6-4-14)34(31,32)28-11-9-27(10-12-28)17(30)8-7-16(29)24-19-26-25-18(33-19)20(21,22)23/h3-6,13H,7-12H2,1-2H3,(H,24,26,29)
InChIKey
JFJLERGMIYDYOO-UHFFFAOYSA-N
Synonyms
714947-24-7
4oxo4(4((4(propan2yl)phenyl)sulfonyl)piperazin1yl)N((2Z)5(trifluoromethyl)134thiadiazol2(3H)ylidene)butanamide
4OXO4(4(4PROPAN2YLPHENYL)SULFONYLPIPERAZIN1YL)N(5(TRIFLUOROMETHYL)134THIADIAZOL2YL)BUTANAMIDE
714947247
CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NC3=NN=C(S3)C(F)(F)F
InChI=1SC20H24F3N5O4S2c113(2)143515(6414)34(3132)2811927(101228)17(30)8716(29)2419262518(3319)20(2122)23h3613H712H212H3(H242629)
MFCD05737388
O=C(N=c1(nH)nc(s1)C(F)(F)F)CCC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)C
ZINC000016956156
ZINC16956156

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Available files

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