Vitas-M small molecule compound
2-fluoro-N-({4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)benzamide
Catalog ID
STK248430
SMILES S=C(N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)NC(=O)c1ccccc1F
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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/c20-14-4-2-1-3-13(14)17(28)24-18(31)26-9-7-25(8-10-26)15-6-5-12(19(21,22)23)11-16(15)27(29)30/h1-6,11H,7-10H2,(H,24,28,31)InChIKey
ZJPKAIRXWMNJOX-UHFFFAOYSA-NSynonyms
2fluoroN((4(2nitro4(trifluoromethyl)phenyl)piperazin1yl)carbonothioyl)benzamide
2FLUORON(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=C3F
InChI=1SC19H16F4N4O3Sc2014421313(14)17(28)2418(31)269725(81026)156512(19(2122)23)1116(15)27(29)30h1611H710H2(H242831)
MFCD03704098
S=C(N1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C(F)(F)F)NC(=O)c1ccccc1F
ZINC000009668124
ZINC09668124
ZINC9668124
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