Vitas-M small molecule compound

ethyl 4-{[2-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-3-(thiophen-2-yl)acryloyl]amino}benzoate

Catalog ID
STK836665
SMILES CCOC(=O)c1ccc(cc1)NC(=O)/C(=C/c1cccs1)/C(=O)Nc1ccc(cc1)C(=O)OCC

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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 C26H24N2O6S MW 492.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O6S/c1-3-33-25(31)17-7-11-19(12-8-17)27-23(29)22(16-21-6-5-15-35-21)24(30)28-20-13-9-18(10-14-20)26(32)34-4-2/h5-16H,3-4H2,1-2H3,(H,27,29)(H,28,30)
InChIKey
XPSABHYCVPMSCP-UHFFFAOYSA-N
Synonyms
372977-97-4
372977974
CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=CS2)C(=O)NC3=CC=C(C=C3)C(=O)OCC
CCOC(=O)c1ccc(cc1)NC(=O)C(=Cc1cccs1)C(=O)Nc1ccc(cc1)C(=O)OCC
diethyl44((2(thiophen2ylmethylene)malonyl)bis(azanediyl))dibenzoate
ethyl4((2((4(ethoxycarbonyl)phenyl)carbamoyl)3(thiophen2yl)acryloyl)amino)benzoate
ETHYL4((2((4ETHOXYCARBONYLPHENYL)CARBAMOYL)3THIOPHEN2YLPROP2ENOYL)AMINO)BENZOATE
InChI=1SC26H24N2O6Sc133325(31)1771119(12817)2723(29)22(162165153521)24(30)282013918(101420)26(32)3442h516H34H212H3(H2729)(H2830)
MFCD01954111
ZINC000013774696
ZINC13774696

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Available files

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