Vitas-M small molecule compound

2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid

Catalog ID
STK744796
SMILES COc1ccc(cc1)/C=C/C(=O)Nc1sc2c(c1C(=O)O)CCC2

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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 C18H17NO4S MW 343.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17NO4S/c1-23-12-8-5-11(6-9-12)7-10-15(20)19-17-16(18(21)22)13-3-2-4-14(13)24-17/h5-10H,2-4H2,1H3,(H,19,20)(H,21,22)/b10-7+
InChIKey
UGYVGIJEUITCSZ-JXMROGBWSA-N
Synonyms
312584-61-5
(E)2(3(4methoxyphenyl)acrylamido)56dihydro4Hcyclopenta(b)thiophene3carboxylicacid
2(((2E)3(4methoxyphenyl)prop2enoyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylicacid
2(((E)3(4METHOXYPHENYL)PROP2ENOYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLICACID
2((3(4METHOXYPHENYL)ACRYLOYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLICACID
312584615
COC1=CC=C(C=C1)C=CC(=O)NC2=C(C3=C(S2)CCC3)C(=O)O
COc1ccc(cc1)C=CC(=O)Nc1sc2c(c1C(=O)O)CCC2
InChI=1SC18H17NO4Sc123128511(6912)71015(20)191716(18(21)22)1332414(13)2417h510H24H21H3(H1920)(H2122)b107+
MFCD01925533
ZINC000000349891
ZINC349891

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Available files

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