Vitas-M small molecule compound

methyl 2-{[(2E)-2-cyano-3-(4-methoxynaphthalen-1-yl)prop-2-enoyl]amino}-5-propylthiophene-3-carboxylate

Catalog ID
STK472813
SMILES CCCc1cc(c(s1)NC(=O)/C(=C/c1ccc(c2c1cccc2)OC)/C#N)C(=O)OC

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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 C24H22N2O4S MW 434.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O4S/c1-4-7-17-13-20(24(28)30-3)23(31-17)26-22(27)16(14-25)12-15-10-11-21(29-2)19-9-6-5-8-18(15)19/h5-6,8-13H,4,7H2,1-3H3,(H,26,27)/b16-12+
InChIKey
OUBQLBMSWISNFF-FOWTUZBSSA-N
Synonyms

CCCC1=CC(=C(S1)NC(=O)C(=CC2=CC=C(C3=CC=CC=C23)OC)C#N)C(=O)OC
CCCc1cc(c(s1)NC(=O)C(=Cc1ccc(c2c1cccc2)OC)C#N)C(=O)OC
InChI=1SC24H22N2O4Sc147171320(24(28)303)23(3117)2622(27)16(1425)1215101121(292)19965818(15)19h56813H47H213H3(H2627)b1612+
methyl2(((2E)2cyano3(4methoxynaphthalen1yl)prop2enoyl)amino)5propylthiophene3carboxylate
methyl2(((E)2cyano3(4methoxynaphthalen1yl)prop2enoyl)amino)5propylthiophene3carboxylate
METHYL2((2E)2CYANO3(4METHOXYNAPHTHYL)PROP2ENOYLAMINO)5PROPYLTHIOPHENE3CARBOXYLATE
MFCD07091744
ZINC000017098895
ZINC17098895

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Available files

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