Vitas-M small molecule compound

methyl 4,5-dimethyl-2-{[(2E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino}thiophene-3-carboxylate

Catalog ID
STK428372
SMILES COC(=O)c1c(NC(=O)/C=C/c2ccc(o2)C)sc(c1C)C

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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 C16H17NO4S MW 319.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17NO4S/c1-9-5-6-12(21-9)7-8-13(18)17-15-14(16(19)20-4)10(2)11(3)22-15/h5-8H,1-4H3,(H,17,18)/b8-7+
InChIKey
MAPWVHKBGBOJDF-BQYQJAHWSA-N
Synonyms
5704-37-0
5704370
CC1=CC=C(O1)C=CC(=O)NC2=C(C(=C(S2)C)C)C(=O)OC
COC(=O)c1c(NC(=O)C=Cc2ccc(o2)C)sc(c1C)C
InChI=1SC16H17NO4Sc195612(219)7813(18)171514(16(19)204)10(2)11(3)2215h58H14H3(H1718)b87+
METHYL2((2E)3(5METHYL(2FURYL))PROP2ENOYLAMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
methyl45dimethyl2(((2E)3(5methylfuran2yl)prop2enoyl)amino)thiophene3carboxylate
METHYL45DIMETHYL2(((E)3(5METHYLFURAN2YL)PROP2ENOYL)AMINO)THIOPHENE3CARBOXYLATE
METHYL45DIMETHYL2((3(5METHYL2FURYL)ACRYLOYL)AMINO)3THIOPHENECARBOXYLATE
MFCD01342443
ZINC000000434020
ZINC00434020
ZINC434020

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Available files

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