Vitas-M small molecule compound

4-[(E)-(2-{(2E)-2-{[(2-chlorophenyl)carbonyl]amino}-3-[4-(diethylamino)phenyl]prop-2-enoyl}hydrazinylidene)methyl]-2-ethoxyphenyl 4-bromobenzoate

Catalog ID
STL170772
SMILES CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc(cc2)N(CC)CC)/NC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(cc1)Br

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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 C36H34BrClN4O5 MW 718.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H34BrClN4O5/c1-4-42(5-2)28-18-11-24(12-19-28)21-31(40-34(43)29-9-7-8-10-30(29)38)35(44)41-39-23-25-13-20-32(33(22-25)46-6-3)47-36(45)26-14-16-27(37)17-15-26/h7-23H,4-6H2,1-3H3,(H,40,43)(H,41,44)/b31-21+,39-23+
InChIKey
VAEXQOWMCXJHRT-FEIWSWQDSA-N
Synonyms

(4((E)(((E)2((2chlorobenzoyl)amino)3(4(diethylamino)phenyl)prop2enoyl)hydrazinylidene)methyl)2ethoxyphenyl)4bromobenzoate
4((E)(2((2E)2(((2chlorophenyl)carbonyl)amino)3(4(diethylamino)phenyl)prop2enoyl)hydrazinylidene)methyl)2ethoxyphenyl4bromobenzoate
4(2(2((2CHLOROBENZOYL)AMINO)3(4(DIETHYLAMINO)PHENYL)ACRYLOYL)CARBOHYDRAZONOYL)2ETHOXYPHENYL4BROMOBENZOATE
CCN(CC)C1=CC=C(C=C1)C=C(C(=O)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)Br)OCC)NC(=O)C4=CC=CC=C4Cl
CCOc1cc(C=NNC(=O)C(=Cc2ccc(cc2)N(CC)CC)NC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(cc1)Br
InChI=1SC36H34BrClN4O5c1442(52)28181124(121928)2131(4034(43)299781030(29)38)35(44)41392325132032(33(2225)4663)4736(45)26141627(37)171526h723H46H213H3(H4043)(H4144)b3121+3923+
MFCD01147800
ZINC000008457117
ZINC150652988

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Available files

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