Vitas-M small molecule compound

6-({4-(4-methylphenyl)-3-[(propan-2-yloxy)carbonyl]thiophen-2-yl}carbamoyl)cyclohex-3-ene-1-carboxylic acid

Catalog ID
STK315828
SMILES CC(OC(=O)c1c(scc1c1ccc(cc1)C)NC(=O)C1CC=CCC1C(=O)O)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 C23H25NO5S MW 427.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO5S/c1-13(2)29-23(28)19-18(15-10-8-14(3)9-11-15)12-30-21(19)24-20(25)16-6-4-5-7-17(16)22(26)27/h4-5,8-13,16-17H,6-7H2,1-3H3,(H,24,25)(H,26,27)
InChIKey
ZQUZGIJTDOLLDG-UHFFFAOYSA-N
Synonyms
351000-50-5
351000505
6(((3(ISOPROPOXYCARBONYL)4(4METHYLPHENYL)THIEN2YL)AMINO)CARBONYL)CYCLOHEX3ENE1CARBOXYLICACID
6(((4(4METHYLPHENYL)3(OXO(PROPAN2YLOXY)METHYL)2THIOPHENYL)AMINO)OXOMETHYL)1CYCLOHEX3ENECARBOXYLICACID
6((3ISOPROPOXYCARBONYL4(PTOLYL)2THIENYL)CARBAMOYL)CYCLOHEX3ENE1CARBOXYLICACID
6((4(4methylphenyl)3((propan2yloxy)carbonyl)thiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
6((4(4METHYLPHENYL)3PROPAN2YLOXYCARBONYLTHIOPHEN2YL)CARBAMOYL)CYCLOHEX3ENE1CARBOXYLICACID
CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC(C)C)NC(=O)C3CC=CCC3C(=O)O
InChI=1SC23H25NO5Sc113(2)2923(28)1918(1510814(3)91115)123021(19)2420(25)16645717(16)22(26)27h458131617H67H213H3(H2425)(H2627)
MFCD01923372
ZINC000000659067
ZINC000000659072

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.