Vitas-M small molecule compound

N-benzyl-4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazin-1-amine

Catalog ID
STK200849
SMILES CN1CCN(CC1)S(=O)(=O)c1cc(ccc1C)c1nnc(c2c1cccc2)NCc1ccccc1

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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 C27H29N5O2S MW 487.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O2S/c1-20-12-13-22(18-25(20)35(33,34)32-16-14-31(2)15-17-32)26-23-10-6-7-11-24(23)27(30-29-26)28-19-21-8-4-3-5-9-21/h3-13,18H,14-17,19H2,1-2H3,(H,28,30)
InChIKey
BYABSMLUBKXVHQ-UHFFFAOYSA-N
Synonyms
442648-00-2
442648002
CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCC4=CC=CC=C4)S(=O)(=O)N5CCN(CC5)C
InChI=1SC27H29N5O2Sc120121322(1825(20)35(3334)32161431(2)151732)262310671124(23)27(302926)2819218435921h31318H141719H212H3(H2830)
MFCD03291337
Nbenzyl4(4methyl3((4methylpiperazin1yl)sulfonyl)phenyl)phthalazin1amine
NBENZYL4(4METHYL3(4METHYLPIPERAZIN1YL)SULFONYLPHENYL)PHTHALAZIN1AMINE
ZINC000004110745
ZINC4110745

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Available files

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