Vitas-M small molecule compound
2-methoxy-5-[(4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazin-1-yl)amino]benzamide
Catalog ID
STK200891
SMILES COc1ccc(cc1C(=O)N)Nc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)N1CCN(CC1)C)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 C28H30N6O4S MW 546.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N6O4S/c1-18-8-9-19(16-25(18)39(36,37)34-14-12-33(2)13-15-34)26-21-6-4-5-7-22(21)28(32-31-26)30-20-10-11-24(38-3)23(17-20)27(29)35/h4-11,16-17H,12-15H2,1-3H3,(H2,29,35)(H,30,32)InChIKey
RJXYTSUSZDYPAO-UHFFFAOYSA-NSynonyms
489398-56-32methoxy5((4(4methyl3((4methylpiperazin1yl)sulfonyl)phenyl)phthalazin1yl)amino)benzamide
2METHOXY5((4(4METHYL3(4METHYLPIPERAZIN1YL)SULFONYLPHENYL)PHTHALAZIN1YL)AMINO)BENZAMIDE
CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)OC)C(=O)N)S(=O)(=O)N5CCN(CC5)C
InChI=1SC28H30N6O4Sc1188919(1625(18)39(3637)34141233(2)131534)2621645722(21)28(323126)3020101124(383)23(1720)27(29)35h4111617H1215H213H3(H22935)(H3032)
MFCD03295661
ZINC97951574
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