Vitas-M small molecule compound

4-[(E)-(2-{(2E)-3-[4-(diethylamino)phenyl]-2-[(phenylcarbonyl)amino]prop-2-enoyl}hydrazinylidene)methyl]-2-ethoxyphenyl 2-chlorobenzoate

Catalog ID
STK672049
SMILES CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc(cc2)N(CC)CC)/NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1Cl

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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 C36H35ClN4O5 MW 639.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H35ClN4O5/c1-4-41(5-2)28-19-16-25(17-20-28)22-31(39-34(42)27-12-8-7-9-13-27)35(43)40-38-24-26-18-21-32(33(23-26)45-6-3)46-36(44)29-14-10-11-15-30(29)37/h7-24H,4-6H2,1-3H3,(H,39,42)(H,40,43)/b31-22+,38-24+
InChIKey
UBXZDAGQYQLALR-BUYGZOKYSA-N
Synonyms

(4((E)(((E)2benzamido3(4(diethylamino)phenyl)prop2enoyl)hydrazinylidene)methyl)2ethoxyphenyl)2chlorobenzoate
4((E)(2((2E)3(4(diethylamino)phenyl)2((phenylcarbonyl)amino)prop2enoyl)hydrazinylidene)methyl)2ethoxyphenyl2chlorobenzoate
CCN(CC)C1=CC=C(C=C1)C=C(C(=O)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3Cl)OCC)NC(=O)C4=CC=CC=C4
CCOc1cc(C=NNC(=O)C(=Cc2ccc(cc2)N(CC)CC)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1Cl
InChI=1SC36H35ClN4O5c1441(52)28191625(172028)2231(3934(42)27128791327)35(43)40382426182132(33(2326)4563)4636(44)291410111530(29)37h724H46H213H3(H3942)(H4043)b3122+3824+
MFCD00822284
ZINC000150352801
ZINC150611680

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Available files

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