Vitas-M small molecule compound
N-{[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl}-4-methoxy-3-nitrobenzamide
Catalog ID
STK259167
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccc(cc1C(F)(F)F)I
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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 C16H11F3IN3O4S MW 525.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11F3IN3O4S/c1-27-13-5-2-8(6-12(13)23(25)26)14(24)22-15(28)21-11-4-3-9(20)7-10(11)16(17,18)19/h2-7H,1H3,(H2,21,22,24,28)InChIKey
DWNBOOAEPWAWNW-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(F)(F)F)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1ccc(cc1C(F)(F)F)I
InChI=1SC16H11F3IN3O4Sc12713528(612(13)23(25)26)14(24)2215(28)2111439(20)710(11)16(1718)19h27H1H3(H221222428)
MFCD04219760
N((4iodo2(trifluoromethyl)phenyl)carbamothioyl)4methoxy3nitrobenzamide
ZINC000001116178
ZINC1116178
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