Vitas-M small molecule compound
methyl 4-({4-[4-methyl-3-(piperidin-1-ylsulfonyl)phenyl]phthalazin-1-yl}amino)benzoate
Catalog ID
STK095035
SMILES COC(=O)c1ccc(cc1)Nc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)N1CCCCC1)C
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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 C28H28N4O4S MW 516.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O4S/c1-19-10-11-21(18-25(19)37(34,35)32-16-6-3-7-17-32)26-23-8-4-5-9-24(23)27(31-30-26)29-22-14-12-20(13-15-22)28(33)36-2/h4-5,8-15,18H,3,6-7,16-17H2,1-2H3,(H,29,31)InChIKey
KEOVHTIHVUYIHU-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)OC)S(=O)(=O)N5CCCCC5
COC(=O)c1ccc(cc1)Nc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)N1CCCCC1)C
InChI=1SC28H28N4O4Sc119101121(1825(19)37(3435)32166371732)2623845924(23)27(313026)2922141220(131522)28(33)362h4581518H3671617H212H3(H2931)
METHYL4((4(4METHYL3(PIPERIDIN1YLSULFONYL)PHENYL)PHTHALAZIN1YL)AMINO)BENZOATE
METHYL4((4(4METHYL3PIPERIDIN1YLSULFONYLPHENYL)PHTHALAZIN1YL)AMINO)BENZOATE
MFCD02236242
STK095035
ZINC000009311224
ZINC09311224
ZINC9311224
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