Vitas-M small molecule compound

1-({2-[(2E)-2-{2-[3-(diethylcarbamoyl)piperidin-1-yl]benzylidene}hydrazinyl]-5-nitrophenyl}sulfonyl)-N,N-diethylpiperidine-3-carboxamide

Catalog ID
STK674191
SMILES CCN(C(=O)C1CCCN(C1)c1ccccc1/C=N/Nc1ccc(cc1S(=O)(=O)N1CCCC(C1)C(=O)N(CC)CC)[N+](=O)[O-])CC

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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 C33H47N7O6S MW 669.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H47N7O6S/c1-5-36(6-2)32(41)26-14-11-19-38(23-26)30-16-10-9-13-25(30)22-34-35-29-18-17-28(40(43)44)21-31(29)47(45,46)39-20-12-15-27(24-39)33(42)37(7-3)8-4/h9-10,13,16-18,21-22,26-27,35H,5-8,11-12,14-15,19-20,23-24H2,1-4H3/b34-22+
InChIKey
MLXCEFTXQBXKST-PPOKSSTKSA-N
Synonyms

1((2((2E)2(2(3(diethylcarbamoyl)piperidin1yl)benzylidene)hydrazinyl)5nitrophenyl)sulfonyl)NNdiethylpiperidine3carboxamide
1(2((E)((2(3(DIETHYLCARBAMOYL)PIPERIDIN1YL)SULFONYL4NITROPHENYL)HYDRAZINYLIDENE)METHYL)PHENYL)NNDIETHYLPIPERIDINE3CARBOXAMIDE
CCN(C(=O)C1CCCN(C1)c1ccccc1C=NNc1ccc(cc1S(=O)(=O)N1CCCC(C1)C(=O)N(CC)CC)(N+)(=O)(O))CC
CCN(CC)C(=O)C1CCCN(C1)C2=CC=CC=C2C=NNC3=C(C=C(C=C3)(N+)(=O)(O))S(=O)(=O)N4CCCC(C4)C(=O)N(CC)CC
InChI=1SC33H47N7O6Sc1536(62)32(41)2614111938(2326)30161091325(30)22343529181728(40(43)44)2131(29)47(4546)3920121527(2439)33(42)37(73)84h9101316182122262735H581112141519202324H214H3b3422+
MFCD01304897
ZINC000029492773
ZINC000150359341

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Available files

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