Vitas-M small molecule compound

2-chloro-N-[(1E)-1-[4-(diethylamino)phenyl]-3-{(2E)-2-[(1-methyl-1H-pyrrol-2-yl)methylidene]hydrazinyl}-3-oxoprop-1-en-2-yl]benzamide

Catalog ID
STK037377
SMILES CCN(c1ccc(cc1)/C=C(\C(=O)N/N=C/c1cccn1C)/NC(=O)c1ccccc1Cl)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 C26H28ClN5O2 MW 477.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28ClN5O2/c1-4-32(5-2)20-14-12-19(13-15-20)17-24(29-25(33)22-10-6-7-11-23(22)27)26(34)30-28-18-21-9-8-16-31(21)3/h6-18H,4-5H2,1-3H3,(H,29,33)(H,30,34)/b24-17+,28-18+
InChIKey
YFCTWXLJOFZPST-FUMWUCPYSA-N
Synonyms

(2E)N((1E)2(1METHYLPYRROL2YL)1AZAVINYL)3(4(DIETHYLAMINO)PHENYL)2((2CHLOROPHENYL)CARBONYLAMINO)PROP2ENAMIDE
2CHLORON((1E)1(4(DIETHYLAMINO)PHENYL)3((2E)2((1METHYL1HPYRROL2YL)METHYLIDENE)HYDRAZINYL)3OXOPROP1EN2YL)BENZAMIDE
2chloroN((E)1(4(diethylamino)phenyl)3((2E)2((1methylpyrrol2yl)methylidene)hydrazinyl)3oxoprop1en2yl)benzamide
CCN(c1ccc(cc1)C=C(C(=O)NN=Cc1cccn1C)NC(=O)c1ccccc1Cl)CC
CCN(CC)C1=CC=C(C=C1)C=C(C(=O)NN=CC2=CC=CN2C)NC(=O)C3=CC=CC=C3Cl
InChI=1SC26H28ClN5O2c1432(52)20141219(131520)1724(2925(33)2210671123(22)27)26(34)30281821981631(21)3h618H45H213H3(H2933)(H3034)b2417+2818+
MFCD01147816
STK037377
ZINC000013602511
ZINC33924019

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.