Vitas-M small molecule compound
N-{[4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperazin-1-yl]carbonothioyl}-2-nitrobenzamide
Catalog ID
STK398880
SMILES S=C(N1CCN(CC1)c1c(F)c(F)c(c(c1F)F)Cl)NC(=O)c1ccccc1[N+](=O)[O-]
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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 C18H13ClF4N4O3S MW 476.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13ClF4N4O3S/c19-11-12(20)14(22)16(15(23)13(11)21)25-5-7-26(8-6-25)18(31)24-17(28)9-3-1-2-4-10(9)27(29)30/h1-4H,5-8H2,(H,24,28,31)InChIKey
WDYMQPFOTNQNGD-UHFFFAOYSA-NSynonyms
C1CN(CCN1C2=C(C(=C(C(=C2F)F)Cl)F)F)C(=S)NC(=O)C3=CC=CC=C3(N+)(=O)(O)
InChI=1SC18H13ClF4N4O3Sc191112(20)14(22)16(15(23)13(11)21)255726(8625)18(31)2417(28)9312410(9)27(29)30h14H58H2(H242831)
MFCD06759177
N((4(4chloro2356tetrafluorophenyl)piperazin1yl)carbonothioyl)2nitrobenzamide
N(4(4chloro2356tetrafluorophenyl)piperazine1carbothioyl)2nitrobenzamide
S=C(N1CCN(CC1)c1c(F)c(F)c(c(c1F)F)Cl)NC(=O)c1ccccc1(N+)(=O)(O)
ZINC000016449256
ZINC16449256
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