Vitas-M small molecule compound

propan-2-yl 2-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}-4-ethyl-5-methylthiophene-3-carboxylate

Catalog ID
STK446774
SMILES CCc1c(C)sc(c1C(=O)OC(C)C)NC(=O)/C=C/c1ccc(c(c1)OC)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 C22H27NO5S MW 417.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO5S/c1-7-16-14(4)29-21(20(16)22(25)28-13(2)3)23-19(24)11-9-15-8-10-17(26-5)18(12-15)27-6/h8-13H,7H2,1-6H3,(H,23,24)/b11-9+
InChIKey
RVLGSYNFEAVSFW-PKNBQFBNSA-N
Synonyms

CCC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C=CC2=CC(=C(C=C2)OC)OC)C
CCc1c(C)sc(c1C(=O)OC(C)C)NC(=O)C=Cc1ccc(c(c1)OC)OC
InChI=1SC22H27NO5Sc171614(4)2921(20(16)22(25)2813(2)3)2319(24)1191581017(265)18(1215)276h813H7H216H3(H2324)b119+
METHYLETHYL2((2E)3(34DIMETHOXYPHENYL)PROP2ENOYLAMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
MFCD01355689
propan2yl2(((2E)3(34dimethoxyphenyl)prop2enoyl)amino)4ethyl5methylthiophene3carboxylate
PROPAN2YL2(((E)3(34DIMETHOXYPHENYL)PROP2ENOYL)AMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
ZINC000005477132
ZINC05477132
ZINC5477132

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Available files

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