Vitas-M small molecule compound

propyl 6-methyl-2-[(9H-xanthen-9-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK441490
SMILES CCCOC(=O)c1c(NC(=O)C2c3ccccc3Oc3c2cccc3)sc2c1CCC(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 C27H27NO4S MW 461.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO4S/c1-3-14-31-27(30)24-19-13-12-16(2)15-22(19)33-26(24)28-25(29)23-17-8-4-6-10-20(17)32-21-11-7-5-9-18(21)23/h4-11,16,23H,3,12-15H2,1-2H3,(H,28,29)
InChIKey
XIZLUIOEJPDATN-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35
InChI=1SC27H27NO4Sc13143127(30)2419131216(2)1522(19)3326(24)2825(29)23178461020(17)32211175918(21)23h4111623H31215H212H3(H2829)
MFCD03362412
propyl6methyl2((9Hxanthen9ylcarbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
propyl6methyl2(9Hxanthene9carbonylamino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002742864
ZINC000002742865

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Available files

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