Vitas-M small molecule compound

2-bromo-N-[2-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide

Catalog ID
STK232880
SMILES COc1ccc(c(c1)[N+](=O)[O-])NC(=O)CSc1nc2c(s1)cc(cc2)NC(=O)c1ccccc1Br

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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 C23H17BrN4O5S2 MW 573.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17BrN4O5S2/c1-33-14-7-9-17(19(11-14)28(31)32)26-21(29)12-34-23-27-18-8-6-13(10-20(18)35-23)25-22(30)15-4-2-3-5-16(15)24/h2-11H,12H2,1H3,(H,25,30)(H,26,29)
InChIKey
VAOWUWHUTXGSBM-UHFFFAOYSA-N
Synonyms

2BROMON(2((2((4METHOXY2NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)13BENZOTHIAZOL6YL)BENZAMIDE
2BROMON(2(2(4METHOXY2NITROANILINO)2OXOETHYL)SULFANYL13BENZOTHIAZOL6YL)BENZAMIDE
COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4Br)(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))NC(=O)CSc1nc2c(s1)cc(cc2)NC(=O)c1ccccc1Br
InChI=1SC23H17BrN4O5S2c133147917(19(1114)28(31)32)2621(29)12342327188613(1020(18)3523)2522(30)15423516(15)24h211H12H21H3(H2530)(H2629)
MFCD01420429
ZINC000059768550
ZINC59768550

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Available files

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