Vitas-M small molecule compound
4-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]amino}-4-oxobutanoic acid
Catalog ID
STK400525
SMILES CCOC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CCCCCCCCCC2
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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 C21H31NO5S MW 409.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31NO5S/c1-2-27-21(26)19-15-11-9-7-5-3-4-6-8-10-12-16(15)28-20(19)22-17(23)13-14-18(24)25/h2-14H2,1H3,(H,22,23)(H,24,25)InChIKey
KDOMMGRSVFMUFT-UHFFFAOYSA-NSynonyms
350998-78-6350998786
4((3(ethoxycarbonyl)45678910111213decahydrocyclododeca(b)thiophen2yl)amino)4oxobutanoicacid
4((3ethoxycarbonyl45678910111213decahydrocyclododeca(b)thiophen2yl)amino)4oxobutanoicacid
CCOC(=O)C1=C(SC2=C1CCCCCCCCCC2)NC(=O)CCC(=O)O
InChI=1SC21H31NO5Sc122721(26)1915119753468101216(15)2820(19)2217(23)131418(24)25h214H21H3(H2223)(H2425)
MFCD01922653
ZINC000002753570
ZINC2753570
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