Vitas-M small molecule compound
5-{[6-tert-butyl-3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-5-oxopentanoic acid
Catalog ID
STK400406
SMILES CCOC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCC(C2)C(C)(C)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 C20H29NO5S MW 395.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H29NO5S/c1-5-26-19(25)17-13-10-9-12(20(2,3)4)11-14(13)27-18(17)21-15(22)7-6-8-16(23)24/h12H,5-11H2,1-4H3,(H,21,22)(H,23,24)InChIKey
OSKKCMBEEJCXRO-UHFFFAOYSA-NSynonyms
5((6tertbutyl3(ethoxycarbonyl)4567tetrahydro1benzothiophen2yl)amino)5oxopentanoicacid
5((6tertbutyl3ethoxycarbonyl4567tetrahydro1benzothiophen2yl)amino)5oxopentanoicacid
CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)CCCC(=O)O
InChI=1SC20H29NO5Sc152619(25)171310912(20(23)4)1114(13)2718(17)2115(22)76816(23)24h12H511H214H3(H2122)(H2324)
MFCD01359305
ZINC000004646603
ZINC000004646604
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