Vitas-M small molecule compound
2-methyl-N-(2,2,2-trichloro-1-{[(4-methoxy-3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Catalog ID
STK808432
SMILES COc1ccc(cc1[N+](=O)[O-])NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)c1ccccc1C
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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 C18H17Cl3N4O4S MW 491.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17Cl3N4O4S/c1-10-5-3-4-6-12(10)15(26)23-16(18(19,20)21)24-17(30)22-11-7-8-14(29-2)13(9-11)25(27)28/h3-9,16H,1-2H3,(H,23,26)(H2,22,24,30)InChIKey
QWURJQFMGCSVOQ-UHFFFAOYSA-NSynonyms
2methylN(222trichloro1(((4methoxy3nitrophenyl)carbamothioyl)amino)ethyl)benzamide
2METHYLN(222TRICHLORO1((4METHOXY3NITROPHENYL)CARBAMOTHIOYLAMINO)ETHYL)BENZAMIDE
CC1=CC=CC=C1C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC(=C(C=C2)OC)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)c1ccccc1C
InChI=1SC18H17Cl3N4O4Sc110534612(10)15(26)2316(18(1920)21)2417(30)22117814(292)13(911)25(27)28h3916H12H3(H2326)(H2222430)
MFCD00340352
ZINC000001446559
ZINC000001446560
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