Vitas-M small molecule compound

methyl 2-({[4-(difluoromethoxy)-3-methoxyphenyl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK302570
SMILES CCC1CCc2c(C1)sc(c2C(=O)OC)NC(=O)c1ccc(c(c1)OC)OC(F)F

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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 C21H23F2NO5S MW 439.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23F2NO5S/c1-4-11-5-7-13-16(9-11)30-19(17(13)20(26)28-3)24-18(25)12-6-8-14(29-21(22)23)15(10-12)27-2/h6,8,10-11,21H,4-5,7,9H2,1-3H3,(H,24,25)
InChIKey
REJFOZDZCNXXPA-UHFFFAOYSA-N
Synonyms
723253-56-3
723253563
CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=C(C=C3)OC(F)F)OC
InChI=1SC21H23F2NO5Sc1411571316(911)3019(17(13)20(26)283)2418(25)126814(2921(22)23)15(1012)272h68101121H4579H213H3(H2425)
methyl2(((4(difluoromethoxy)3methoxyphenyl)carbonyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
methyl2((4(difluoromethoxy)3methoxybenzoyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
MFCD04048517
ZINC000000652996
ZINC000000652999

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Available files

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