Vitas-M small molecule compound

methyl 2-[(9H-xanthen-9-ylcarbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Catalog ID
STK439182
SMILES COC(=O)c1c(NC(=O)C2c3ccccc3Oc3c2cccc3)sc2c1CCC2

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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 C23H19NO4S MW 405.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19NO4S/c1-27-23(26)20-15-9-6-12-18(15)29-22(20)24-21(25)19-13-7-2-4-10-16(13)28-17-11-5-3-8-14(17)19/h2-5,7-8,10-11,19H,6,9,12H2,1H3,(H,24,25)
InChIKey
FNLCRCWKDLUVLC-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(SC2=C1CCC2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35
InChI=1SC23H19NO4Sc12723(26)2015961218(15)2922(20)2421(25)19137241016(13)28171153814(17)19h2578101119H6912H21H3(H2425)
methyl2((9Hxanthen9ylcarbonyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
METHYL2(9HXANTHENE9CARBONYLAMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
METHYL2(XANTHEN9YLCARBONYLAMINO)456TRIHYDROCYCLOPENTA(21B)THIOPHENE3CARBOXYLATE
MFCD03379137
ZINC000002754112
ZINC02754112
ZINC2754112

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Available files

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