Vitas-M small molecule compound
5-bromo-2-methoxy-3-methyl-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
Catalog ID
STK183877
SMILES COc1c(C)cc(cc1C(=O)NC(=S)Nc1nc2c(s1)cc(cc2)[N+](=O)[O-])Br
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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 C17H13BrN4O4S2 MW 481.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13BrN4O4S2/c1-8-5-9(18)6-11(14(8)26-2)15(23)20-16(27)21-17-19-12-4-3-10(22(24)25)7-13(12)28-17/h3-7H,1-2H3,(H2,19,20,21,23,27)InChIKey
SRTNFJHEDZGPIU-UHFFFAOYSA-NSynonyms
5BROMO2METHOXY3METHYLN((6NITRO13BENZOTHIAZOL2YL)CARBAMOTHIOYL)BENZAMIDE
CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)(N+)(=O)(O))OC
COc1c(C)cc(cc1C(=O)NC(=S)Nc1nc2c(s1)cc(cc2)(N+)(=O)(O))Br
InChI=1SC17H13BrN4O4S2c1859(18)611(14(8)262)15(23)2016(27)211719124310(22(24)25)713(12)2817h37H12H3(H21920212327)
MFCD06664457
ZINC000012342232
ZINC12342232
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