Vitas-M small molecule compound

ethyl 4-(3-{(1Z)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate

Catalog ID
STK186473
SMILES CCOc1cccc(c1)NC(=O)/C(=C\c1cc(n(c1C)c1ccc(cc1)C(=O)OCC)C)/C#N

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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 C27H27N3O4 MW 457.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O4/c1-5-33-25-9-7-8-23(16-25)29-26(31)22(17-28)15-21-14-18(3)30(19(21)4)24-12-10-20(11-13-24)27(32)34-6-2/h7-16H,5-6H2,1-4H3,(H,29,31)/b22-15-
InChIKey
UPLVJMDGNOBVIQ-JCMHNJIXSA-N
Synonyms

CCOC1=CC=CC(=C1)NC(=O)C(=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)C(=O)OCC)C)C#N
CCOc1cccc(c1)NC(=O)C(=Cc1cc(n(c1C)c1ccc(cc1)C(=O)OCC)C)C#N
ETHYL4(3((1Z)2CYANO2(N(3ETHOXYPHENYL)CARBAMOYL)VINYL)25DIMETHYLPYRROLYL)BENZOATE
ETHYL4(3((1Z)2CYANO3((3ETHOXYPHENYL)AMINO)3OXOPROP1EN1YL)25DIMETHYL1HPYRROL1YL)BENZOATE
ethyl4(3((Z)2cyano3(3ethoxyanilino)3oxoprop1enyl)25dimethylpyrrol1yl)benzoate
InChI=1SC27H27N3O4c15332597823(1625)2926(31)22(1728)15211418(3)30(19(21)4)24121020(111324)27(32)3462h716H56H214H3(H2931)b2215
MFCD01824103
ZINC000015012389
ZINC15012389

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Available files

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