Vitas-M small molecule compound
3,5-dibromo-2-methoxy-N-{[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl}benzamide
Catalog ID
STK173675
SMILES COc1c(Br)cc(cc1C(=O)NC(=S)Nc1scc(n1)c1cccc(c1)[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 C18H12Br2N4O4S2 MW 572.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12Br2N4O4S2/c1-28-15-12(6-10(19)7-13(15)20)16(25)22-17(29)23-18-21-14(8-30-18)9-3-2-4-11(5-9)24(26)27/h2-8H,1H3,(H2,21,22,23,25,29)InChIKey
YAHIXFYTHDCDNV-UHFFFAOYSA-NSynonyms
(35DIBROMO2METHOXYPHENYL)N(((4(3NITROPHENYL)(13THIAZOL2YL))AMINO)THIOXOMETHYL)CARBOXAMIDE
35DIBROMO2METHOXYN((4(3NITROPHENYL)13THIAZOL2YL)CARBAMOTHIOYL)BENZAMIDE
COC1=C(C=C(C=C1C(=O)NC(=S)NC2=NC(=CS2)C3=CC(=CC=C3)(N+)(=O)(O))Br)Br
COc1c(Br)cc(cc1C(=O)NC(=S)Nc1scc(n1)c1cccc(c1)(N+)(=O)(O))Br
InChI=1SC18H12Br2N4O4S2c1281512(610(19)713(15)20)16(25)2217(29)23182114(83018)932411(59)24(26)27h28H1H3(H22122232529)
MFCD03037486
ZINC000100278050
ZINC100278050
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