Vitas-M small molecule compound
6-{[4-(4-butylphenyl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Catalog ID
STK426252
SMILES CCCCc1ccc(cc1)c1csc(c1C(=O)OCC)NC(=O)C1CC(=C(CC1C(=O)O)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 C27H33NO5S MW 483.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33NO5S/c1-5-7-8-18-9-11-19(12-10-18)22-15-34-25(23(22)27(32)33-6-2)28-24(29)20-13-16(3)17(4)14-21(20)26(30)31/h9-12,15,20-21H,5-8,13-14H2,1-4H3,(H,28,29)(H,30,31)InChIKey
OPVPUNRPNYVSGT-UHFFFAOYSA-NSynonyms
6(((4(4BUTYLPHENYL)3(ETHOXYCARBONYL)2THIENYL)AMINO)CARBONYL)34DIMETHYL3CYCLOHEXENE1CARBOXYLICACID
6((4(4butylphenyl)3(ethoxycarbonyl)thiophen2yl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
6((4(4BUTYLPHENYL)3ETHOXYCARBONYLTHIOPHEN2YL)CARBAMOYL)34DIMETHYLCYCLOHEX3ENE1CARBOXYLICACID
6(N(4(4BUTYLPHENYL)3(ETHOXYCARBONYL)(2THIENYL))CARBAMOYL)34DIMETHYLCYCLOHEX3ENECARBOXYLICACID
CCCCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C3CC(=C(CC3C(=O)O)C)C
InChI=1SC27H33NO5Sc15781891119(121018)22153425(23(22)27(32)3362)2824(29)201316(3)17(4)1421(20)26(30)31h912152021H581314H214H3(H2829)(H3031)
MFCD02609206
ZINC000002109096
ZINC000002109102
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