Vitas-M small molecule compound
6-{[3-(ethoxycarbonyl)-5-(1-phenylethyl)thiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Catalog ID
STK430808
SMILES CCOC(=O)c1cc(sc1NC(=O)C1CC(=C(CC1C(=O)O)C)C)C(c1ccccc1)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 C25H29NO5S MW 455.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO5S/c1-5-31-25(30)20-13-21(16(4)17-9-7-6-8-10-17)32-23(20)26-22(27)18-11-14(2)15(3)12-19(18)24(28)29/h6-10,13,16,18-19H,5,11-12H2,1-4H3,(H,26,27)(H,28,29)InChIKey
HBRNVJPGPIDHOC-UHFFFAOYSA-NSynonyms
6(((3(ETHOXYCARBONYL)5(1PHENYLETHYL)2THIENYL)AMINO)CARBONYL)34DIMETHYL3CYCLOHEXENE1CARBOXYLICACID
6((3(ethoxycarbonyl)5(1phenylethyl)thiophen2yl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
6((3ETHOXYCARBONYL5(1PHENYLETHYL)THIOPHEN2YL)CARBAMOYL)34DIMETHYLCYCLOHEX3ENE1CARBOXYLICACID
6(N(3(ETHOXYCARBONYL)5(PHENYLETHYL)(2THIENYL))CARBAMOYL)34DIMETHYLCYCLOHEX3ENECARBOXYLICACID
CCOC(=O)C1=C(SC(=C1)C(C)C2=CC=CC=C2)NC(=O)C3CC(=C(CC3C(=O)O)C)C
InChI=1SC25H29NO5Sc153125(30)201321(16(4)1797681017)3223(20)2622(27)181114(2)15(3)1219(18)24(28)29h61013161819H51112H214H3(H2627)(H2829)
MFCD03074551
ZINC000001009227
ZINC000102647903
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