Vitas-M small molecule compound
2-chloro-4-methyl-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
Catalog ID
STK183876
SMILES S=C(NC(=O)c1ccc(cc1Cl)C)Nc1nc2c(s1)cc(cc2)[N+](=O)[O-]
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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 C16H11ClN4O3S2 MW 406.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11ClN4O3S2/c1-8-2-4-10(11(17)6-8)14(22)19-15(25)20-16-18-12-5-3-9(21(23)24)7-13(12)26-16/h2-7H,1H3,(H2,18,19,20,22,25)InChIKey
PFPPYHUJRMJONX-UHFFFAOYSA-NSynonyms
2CHLORO4METHYLN((6NITRO13BENZOTHIAZOL2YL)CARBAMOTHIOYL)BENZAMIDE
CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)(N+)(=O)(O))Cl
InChI=1SC16H11ClN4O3S2c182410(11(17)68)14(22)1915(25)20161812539(21(23)24)713(12)2616h27H1H3(H21819202225)
MFCD06664456
S=C(NC(=O)c1ccc(cc1Cl)C)Nc1nc2c(s1)cc(cc2)(N+)(=O)(O)
ZINC000004723333
ZINC04723333
ZINC4723333
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