Vitas-M small molecule compound
4-bromo-N-[2-({2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide
Catalog ID
STK675116
SMILES O=C(Nc1c(C)n(n(c1=O)c1ccccc1)C)CSc1nc2c(s1)cc(cc2)NC(=O)c1ccc(cc1)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 C27H22BrN5O3S2 MW 608.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22BrN5O3S2/c1-16-24(26(36)33(32(16)2)20-6-4-3-5-7-20)31-23(34)15-37-27-30-21-13-12-19(14-22(21)38-27)29-25(35)17-8-10-18(28)11-9-17/h3-14H,15H2,1-2H3,(H,29,35)(H,31,34)InChIKey
IFKHWJAIHVNGPA-UHFFFAOYSA-NSynonyms
4bromoN(2((2((15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)amino)2oxoethyl)sulfanyl)13benzothiazol6yl)benzamide
4BROMON(2(2((15DIMETHYL3OXO2PHENYLPYRAZOL4YL)AMINO)2OXOETHYL)SULFANYL13BENZOTHIAZOL6YL)BENZAMIDE
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC4=C(S3)C=C(C=C4)NC(=O)C5=CC=C(C=C5)Br
InChI=1SC27H22BrN5O3S2c11624(26(36)33(32(16)2)206435720)3123(34)1537273021131219(1422(21)3827)2925(35)1781018(28)11917h314H15H212H3(H2935)(H3134)
MFCD01203816
ZINC000098002691
ZINC98002691
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