Vitas-M small molecule compound
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-5-(4-{[4-(piperidin-1-ylcarbonyl)phenyl]amino}phthalazin-1-yl)benzenesulfonamide
Catalog ID
STK678529
SMILES CCOc1cc(CCNS(=O)(=O)c2cc(ccc2C)c2nnc(c3c2cccc3)Nc2ccc(cc2)C(=O)N2CCCCC2)ccc1OCC
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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 C39H43N5O5S MW 693.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H43N5O5S/c1-4-48-34-20-14-28(25-35(34)49-5-2)21-22-40-50(46,47)36-26-30(15-13-27(36)3)37-32-11-7-8-12-33(32)38(43-42-37)41-31-18-16-29(17-19-31)39(45)44-23-9-6-10-24-44/h7-8,11-20,25-26,40H,4-6,9-10,21-24H2,1-3H3,(H,41,43)InChIKey
DOBKCMQESDDLSB-UHFFFAOYSA-NSynonyms
4((4(3(((2(34DIETHOXYPHENYL)ETHYL)AMINO)SULFONYL)4METHYLPHENYL)PHTHALAZINYL)AMINO)PHENYLPIPERIDYLKETONE
CCOC1=C(C=C(C=C1)CCNS(=O)(=O)C2=C(C=CC(=C2)C3=NN=C(C4=CC=CC=C43)NC5=CC=C(C=C5)C(=O)N6CCCCC6)C)OCC
InChI=1SC39H43N5O5Sc144834201428(2535(34)4952)21224050(4647)362630(151327(36)3)373211781233(32)38(434237)4131181629(171931)39(45)442396102444h781120252640H469102124H213H3(H4143)
MFCD03308638
N(2(34diethoxyphenyl)ethyl)2methyl5(4((4(piperidin1ylcarbonyl)phenyl)amino)phthalazin1yl)benzenesulfonamide
N(2(34DIETHOXYPHENYL)ETHYL)2METHYL5(4(4(PIPERIDINE1CARBONYL)ANILINO)PHTHALAZIN1YL)BENZENESULFONAMIDE
ZINC000098003719
ZINC98003719
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