Vitas-M small molecule compound
ethyl 2-{[(4-butoxy-3-methoxyphenyl)carbonyl]amino}-4-(2,3-dihydro-1,4-benzodioxin-2-yl)thiophene-3-carboxylate
Catalog ID
STK076229
SMILES CCCCOc1ccc(cc1OC)C(=O)Nc1scc(c1C(=O)OCC)C1COc2c(O1)cccc2
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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 C27H29NO7S MW 511.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO7S/c1-4-6-13-33-20-12-11-17(14-22(20)31-3)25(29)28-26-24(27(30)32-5-2)18(16-36-26)23-15-34-19-9-7-8-10-21(19)35-23/h7-12,14,16,23H,4-6,13,15H2,1-3H3,(H,28,29)InChIKey
VHYPRLZNKGDCPV-UHFFFAOYSA-NSynonyms
CCCCOC1=C(C=C(C=C1)C(=O)NC2=C(C(=CS2)C3COC4=CC=CC=C4O3)C(=O)OCC)OC
CCCCOc1ccc(cc1OC)C(=O)Nc1scc(c1C(=O)OCC)C1COc2c(O1)cccc2
ETHYL2(((4BUTOXY3METHOXYPHENYL)CARBONYL)AMINO)4(23DIHYDRO14BENZODIOXIN2YL)THIOPHENE3CARBOXYLATE
ETHYL2((4BUTOXY3METHOXYBENZOYL)AMINO)4(23DIHYDRO14BENZODIOXIN3YL)THIOPHENE3CARBOXYLATE
InChI=1SC27H29NO7Sc146133320121117(1422(20)313)25(29)282624(27(30)3252)18(163626)231534199781021(19)3523h712141623H461315H213H3(H2829)
MFCD03015872
STK076229
ZINC000009860898
ZINC000009860899
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