Vitas-M small molecule compound
3-methyl-N-({4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)benzamide
Catalog ID
STK097566
SMILES Cc1cccc(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 C20H19F3N4O3S MW 452.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19F3N4O3S/c1-13-3-2-4-14(11-13)18(28)24-19(31)26-9-7-25(8-10-26)16-6-5-15(20(21,22)23)12-17(16)27(29)30/h2-6,11-12H,7-10H2,1H3,(H,24,28,31)InChIKey
GGTUUOZKPMRWOI-UHFFFAOYSA-NSynonyms
3METHYLN((4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)CARBONOTHIOYL)BENZAMIDE
3METHYLN(4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZINE1CARBOTHIOYL)BENZAMIDE
CC1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)(N+)(=O)(O)
Cc1cccc(c1)C(=O)NC(=S)N1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C(F)(F)F
InChI=1SC20H19F3N4O3Sc11332414(1113)18(28)2419(31)269725(81026)166515(20(2122)23)1217(16)27(29)30h261112H710H21H3(H242831)
MFCD03136634
STK097566
ZINC000009730811
ZINC09730811
ZINC9730811
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