Vitas-M small molecule compound
6-{[3-(ethoxycarbonyl)-5-ethylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK423916
SMILES CCc1cc(c(s1)NC(=O)C1CC=CCC1C(=O)O)C(=O)OCC
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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 C17H21NO5S MW 351.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21NO5S/c1-3-10-9-13(17(22)23-4-2)15(24-10)18-14(19)11-7-5-6-8-12(11)16(20)21/h5-6,9,11-12H,3-4,7-8H2,1-2H3,(H,18,19)(H,20,21)InChIKey
AUBHLOYDKRRGGF-UHFFFAOYSA-NSynonyms
(1R6S)6((3(ETHOXYCARBONYL)5ETHYLTHIOPHEN2YL)CARBAMOYL)CYCLOHEX3ENE1CARBOXYLICACID
(1S6R)6((3(ETHOXYCARBONYL)5ETHYLTHIOPHEN2YL)CARBAMOYL)CYCLOHEX3ENE1CARBOXYLICACID
6((3(ethoxycarbonyl)5ethylthiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
6((3ETHOXYCARBONYL5ETHYLTHIOPHEN2YL)CARBAMOYL)CYCLOHEX3ENE1CARBOXYLICACID
6(N(3(ETHOXYCARBONYL)5ETHYL2THIENYL)CARBAMOYL)CYCLOHEX3ENECARBOXYLICACID
CCC1=CC(=C(S1)NC(=O)C2CC=CCC2C(=O)O)C(=O)OCC
InChI=1SC17H21NO5Sc1310913(17(22)2342)15(2410)1814(19)11756812(11)16(20)21h5691112H3478H212H3(H1819)(H2021)
MFCD02176762
ZINC000004893999
ZINC000004894006
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