Vitas-M small molecule compound
3-{[3-(ethoxycarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK408823
SMILES CCOC(=O)c1c(NC(=O)C2C3CCC(C2C(=O)O)O3)sc2c1CCC(C2)CC
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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 C21H27NO6S MW 421.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO6S/c1-3-10-5-6-11-14(9-10)29-19(15(11)21(26)27-4-2)22-18(23)16-12-7-8-13(28-12)17(16)20(24)25/h10,12-13,16-17H,3-9H2,1-2H3,(H,22,23)(H,24,25)InChIKey
BKKVYXBZSGFURC-UHFFFAOYSA-NSynonyms
2((3ethoxycarbonyl6ethyl4567tetrahydro1benzothiophen2yl)carbamoyl)7oxabicyclo(221)heptane3carboxylicacid
3((3(ethoxycarbonyl)6ethyl4567tetrahydro1benzothiophen2yl)carbamoyl)7oxabicyclo(221)heptane2carboxylicacid
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3C4CCC(C3C(=O)O)O4
InChI=1SC21H27NO6Sc1310561114(910)2919(15(11)21(26)2742)2218(23)16127813(2812)17(16)20(24)25h1012131617H39H212H3(H2223)(H2425)
MFCD01922578
ZINC000169300663
ZINC000239025327
Check stock
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