Vitas-M small molecule compound
(2E)-3-{3-[4-(hexyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-[(4-methylpiperazin-1-yl)carbonyl]prop-2-enenitrile
Catalog ID
STK799024
SMILES CCCCCCOc1ccc(cc1)c1nn(cc1/C=C(/C(=O)N1CCN(CC1)C)\C#N)c1ccccc1
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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 C30H35N5O2 MW 497.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35N5O2/c1-3-4-5-9-20-37-28-14-12-24(13-15-28)29-26(23-35(32-29)27-10-7-6-8-11-27)21-25(22-31)30(36)34-18-16-33(2)17-19-34/h6-8,10-15,21,23H,3-5,9,16-20H2,1-2H3/b25-21+InChIKey
RDWWANVAOGPWKO-NJNXFGOHSA-NSynonyms
(2E)3(3(4(hexyloxy)phenyl)1phenyl1Hpyrazol4yl)2((4methylpiperazin1yl)carbonyl)prop2enenitrile
(E)3(3(4HEXOXYPHENYL)1PHENYLPYRAZOL4YL)2(4METHYLPIPERAZINE1CARBONYL)PROP2ENENITRILE
CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)N3CCN(CC3)C)C4=CC=CC=C4
CCCCCCOc1ccc(cc1)c1nn(cc1C=C(C(=O)N1CCN(CC1)C)C#N)c1ccccc1
InChI=1SC30H35N5O2c13459203728141224(131528)2926(2335(3229)27107681127)2125(2231)30(36)34181633(2)171934h6810152123H3591620H212H3b2521+
MFCD03462212
ZINC000012621452
ZINC12621452
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