Vitas-M small molecule compound

4-ethoxy-N-({4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)benzamide

Catalog ID
STK023214
SMILES CCOc1ccc(cc1)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 C21H21F3N4O4S MW 482.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21F3N4O4S/c1-2-32-16-6-3-14(4-7-16)19(29)25-20(33)27-11-9-26(10-12-27)17-8-5-15(21(22,23)24)13-18(17)28(30)31/h3-8,13H,2,9-12H2,1H3,(H,25,29,33)
InChIKey
GZUMEDJKIVUXAI-UHFFFAOYSA-N
Synonyms

4ETHOXYN((4(2NITRO4(TRIFLUOROMETHYL)PHENYL)1PIPERAZINYL)CARBONOTHIOYL)BENZAMIDE
4ETHOXYN((4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)CARBONOTHIOYL)BENZAMIDE
4ETHOXYN(4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZINE1CARBOTHIOYL)BENZAMIDE
CCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)(N+)(=O)(O)
CCOc1ccc(cc1)C(=O)NC(=S)N1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C(F)(F)F
InChI=1SC21H21F3N4O4Sc1232166314(4716)19(29)2520(33)2711926(101227)178515(21(2223)24)1318(17)28(30)31h3813H2912H21H3(H252933)
MFCD03135921
STK023214
ZINC000008687567
ZINC08687567
ZINC8687567

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Available files

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