Vitas-M small molecule compound
N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-4-methyl-3-nitrobenzamide
Catalog ID
STK389979
SMILES S=C(NC(=O)c1ccc(c(c1)[N+](=O)[O-])C)Nc1sc2c(n1)c(Cl)c(cc2)Cl
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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 C16H10Cl2N4O3S2 MW 441.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H10Cl2N4O3S2/c1-7-2-3-8(6-10(7)22(24)25)14(23)20-15(26)21-16-19-13-11(27-16)5-4-9(17)12(13)18/h2-6H,1H3,(H2,19,20,21,23,26)InChIKey
HHIZFTLQTQWXPP-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=CC(=C3Cl)Cl)(N+)(=O)(O)
InChI=1SC16H10Cl2N4O3S2c17238(610(7)22(24)25)14(23)2015(26)2116191311(2716)549(17)12(13)18h26H1H3(H21920212326)
MFCD06007440
N((45dichloro13benzothiazol2yl)carbamothioyl)4methyl3nitrobenzamide
S=C(NC(=O)c1ccc(c(c1)(N+)(=O)(O))C)Nc1sc2c(n1)c(Cl)c(cc2)Cl
ZINC000002881144
ZINC02881144
ZINC2881144
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