Vitas-M small molecule compound
2-{4-[4-methyl-3-(piperidin-1-ylsulfonyl)phenyl]-1-oxophthalazin-2(1H)-yl}-N-[4-(trifluoromethoxy)phenyl]acetamide
Catalog ID
STK678550
SMILES O=C(Cn1nc(c2ccc(c(c2)S(=O)(=O)N2CCCCC2)C)c2c(c1=O)cccc2)Nc1ccc(cc1)OC(F)(F)F
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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 C29H27F3N4O5S MW 600.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27F3N4O5S/c1-19-9-10-20(17-25(19)42(39,40)35-15-5-2-6-16-35)27-23-7-3-4-8-24(23)28(38)36(34-27)18-26(37)33-21-11-13-22(14-12-21)41-29(30,31)32/h3-4,7-14,17H,2,5-6,15-16,18H2,1H3,(H,33,37)InChIKey
LWBLXVVSJHCBLT-UHFFFAOYSA-NSynonyms
2(4(4methyl3(piperidin1ylsulfonyl)phenyl)1oxophthalazin2(1H)yl)N(4(trifluoromethoxy)phenyl)acetamide
2(4(4METHYL3PIPERIDIN1YLSULFONYLPHENYL)1OXOPHTHALAZIN2YL)N(4(TRIFLUOROMETHOXY)PHENYL)ACETAMIDE
CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)NC4=CC=C(C=C4)OC(F)(F)F)S(=O)(=O)N5CCCCC5
InChI=1SC29H27F3N4O5Sc11991020(1725(19)42(3940)35155261635)2723734824(23)28(38)36(3427)1826(37)3321111322(141221)4129(3031)32h3471417H256151618H21H3(H3337)
MFCD03133802
ZINC000049605252
ZINC49605252
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