Vitas-M small molecule compound
3-fluoro-N-({4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)benzamide
Catalog ID
STK164047
SMILES Fc1cccc(c1)C(=O)NC(=S)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])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 C19H16F4N4O3S MW 456.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16F4N4O3S/c20-14-3-1-2-12(10-14)17(28)24-18(31)26-8-6-25(7-9-26)15-5-4-13(19(21,22)23)11-16(15)27(29)30/h1-5,10-11H,6-9H2,(H,24,28,31)InChIKey
ULRCWBDCCPKVQX-UHFFFAOYSA-NSynonyms
3FLUORON((4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)CARBONOTHIOYL)BENZAMIDE
3FLUORON(4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZINE1CARBOTHIOYL)BENZAMIDE
C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)(N+)(=O)(O))C(=S)NC(=O)C3=CC(=CC=C3)F
Fc1cccc(c1)C(=O)NC(=S)N1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C(F)(F)F
InChI=1SC19H16F4N4O3Sc201431212(1014)17(28)2418(31)268625(7926)155413(19(2122)23)1116(15)27(29)30h151011H69H2(H242831)
MFCD03136390
ZINC000009846249
ZINC09846249
ZINC9846249
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