Vitas-M small molecule compound

methyl 4,5-dimethoxy-2-{[(2E)-3-(thiophen-2-yl)prop-2-enoyl]amino}benzoate

Catalog ID
STK952925
SMILES COC(=O)c1cc(OC)c(cc1NC(=O)/C=C/c1cccs1)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 C17H17NO5S MW 347.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17NO5S/c1-21-14-9-12(17(20)23-3)13(10-15(14)22-2)18-16(19)7-6-11-5-4-8-24-11/h4-10H,1-3H3,(H,18,19)/b7-6+
InChIKey
ASGALPFMGHWDMO-VOTSOKGWSA-N
Synonyms
868153-97-3
868153973
COC(=O)c1cc(OC)c(cc1NC(=O)C=Cc1cccs1)OC
COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C=CC2=CC=CS2)OC
InChI=1SC17H17NO5Sc12114912(17(20)233)13(1015(14)222)1816(19)76115482411h410H13H3(H1819)b76+
METHYL2((2E)3(2THIENYL)PROP2ENOYLAMINO)45DIMETHOXYBENZOATE
methyl45dimethoxy2(((2E)3(thiophen2yl)prop2enoyl)amino)benzoate
METHYL45DIMETHOXY2(((E)3THIOPHEN2YLPROP2ENOYL)AMINO)BENZOATE
MFCD05885041
ZINC000002708275
ZINC02708275
ZINC2708275

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Available files

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