Vitas-M small molecule compound

methyl 3-{[(2E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino}-4-(4-ethylpiperazin-1-yl)benzoate

Catalog ID
STK219963
SMILES CCN1CCN(CC1)c1ccc(cc1NC(=O)/C=C/c1cc(Br)ccc1OC)C(=O)OC

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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 C24H28BrN3O4 MW 502.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28BrN3O4/c1-4-27-11-13-28(14-12-27)21-8-5-18(24(30)32-3)16-20(21)26-23(29)10-6-17-15-19(25)7-9-22(17)31-2/h5-10,15-16H,4,11-14H2,1-3H3,(H,26,29)/b10-6+
InChIKey
BWBLBUJQNMXBIW-UXBLZVDNSA-N
Synonyms

CCN1CCN(CC1)c1ccc(cc1NC(=O)C=Cc1cc(Br)ccc1OC)C(=O)OC
CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C=CC3=C(C=CC(=C3)Br)OC
InChI=1SC24H28BrN3O4c1427111328(141227)218518(24(30)323)1620(21)2623(29)106171519(25)7922(17)312h5101516H41114H213H3(H2629)b106+
METHYL3(((2E)3(5BROMO2METHOXYPHENYL)PROP2ENOYL)AMINO)4(4ETHYLPIPERAZIN1YL)BENZOATE
methyl3(((E)3(5bromo2methoxyphenyl)prop2enoyl)amino)4(4ethylpiperazin1yl)benzoate
MFCD06665451
ZINC000010059896
ZINC10059896

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Available files

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