Vitas-M small molecule compound
ethyl 2-[(9H-xanthen-9-ylcarbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STL171871
SMILES CCOC(=O)c1c(sc2c1CCCCCC2)NC(=O)C1c2ccccc2Oc2c1cccc2
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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/c1-2-31-27(30)24-19-13-5-3-4-6-16-22(19)33-26(24)28-25(29)23-17-11-7-9-14-20(17)32-21-15-10-8-12-18(21)23/h7-12,14-15,23H,2-6,13,16H2,1H3,(H,28,29)InChIKey
ONFMKQXBBUDMIB-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35
ethyl2((9Hxanthen9ylcarbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
ethyl2(9Hxanthene9carbonylamino)456789hexahydrocycloocta(b)thiophene3carboxylate
InChI=1SC27H27NO4Sc123127(30)24191353461622(19)3326(24)2825(29)231711791420(17)3221151081218(21)23h712141523H261316H21H3(H2829)
MFCD01835186
ZINC000002085629
ZINC02085629
ZINC2085629
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