Vitas-M small molecule compound

(2E)-N-(2-{(2Z)-2-[1-(3,4-dichlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]hydrazinyl}-2-oxoethyl)-3-(4-methoxyphenyl)prop-2-enamide (non-preferred name)

Catalog ID
STK707884
SMILES COc1ccc(cc1)/C=C/C(=O)NCC(=O)N/N=C\1/c2ccccc2N(C1=O)Cc1ccc(c(c1)Cl)Cl

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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 C27H22Cl2N4O4 MW 537.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22Cl2N4O4/c1-37-19-10-6-17(7-11-19)9-13-24(34)30-15-25(35)31-32-26-20-4-2-3-5-23(20)33(27(26)36)16-18-8-12-21(28)22(29)14-18/h2-14H,15-16H2,1H3,(H,30,34)(H,31,35)/b13-9+,32-26-
InChIKey
SMGQDYGYSCBQKV-ZEIPHRGWSA-N
Synonyms

(2E)N(2((2Z)2(1(34dichlorobenzyl)2oxo12dihydro3Hindol3ylidene)hydrazinyl)2oxoethyl)3(4methoxyphenyl)prop2enamide(nonpreferredname)
(E)N(2((2Z)2(1((34DICHLOROPHENYL)METHYL)2OXOINDOL3YLIDENE)HYDRAZINYL)2OXOETHYL)3(4METHOXYPHENYL)PROP2ENAMIDE
(E)N(2((Z)2(1(34dichlorobenzyl)2oxoindolin3ylidene)hydrazinyl)2oxoethyl)3(4methoxyphenyl)acrylamide
COC1=CC=C(C=C1)C=CC(=O)NCC(=O)NN=C2C3=CC=CC=C3N(C2=O)CC4=CC(=C(C=C4)Cl)Cl
COc1ccc(cc1)C=CC(=O)NCC(=O)NN=C1c2ccccc2N(C1=O)Cc1ccc(c(c1)Cl)Cl
InChI=1SC27H22Cl2N4O4c1371910617(71119)91324(34)301525(35)31322620423523(20)33(27(26)36)161881221(28)22(29)1418h214H1516H21H3(H3034)(H3135)b139+3226
MFCD01957234
ZINC000001826649
ZINC100365677

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Available files

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