Vitas-M small molecule compound

propan-2-yl 6-methyl-2-{[(3,4,5-triethoxyphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK426885
SMILES CCOc1cc(cc(c1OCC)OCC)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCC(C2)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 C26H35NO6S MW 489.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35NO6S/c1-7-30-19-13-17(14-20(31-8-2)23(19)32-9-3)24(28)27-25-22(26(29)33-15(4)5)18-11-10-16(6)12-21(18)34-25/h13-16H,7-12H2,1-6H3,(H,27,28)
InChIKey
YZUUSDHUBWCMMZ-UHFFFAOYSA-N
Synonyms

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OC(C)C
InChI=1SC26H35NO6Sc1730191317(1420(3182)23(19)3293)24(28)272522(26(29)3315(4)5)18111016(6)1221(18)3425h1316H712H216H3(H2728)
MFCD01359249
propan2yl6methyl2(((345triethoxyphenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl6methyl2((345triethoxybenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002742398
ZINC000002742399

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Available files

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