Vitas-M small molecule compound
6-{[3-(methoxycarbonyl)-4-(4-methylphenyl)thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK453230
SMILES COC(=O)c1c(scc1c1ccc(cc1)C)NC(=O)C1CC=CCC1C(=O)O
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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 C21H21NO5S MW 399.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO5S/c1-12-7-9-13(10-8-12)16-11-28-19(17(16)21(26)27-2)22-18(23)14-5-3-4-6-15(14)20(24)25/h3-4,7-11,14-15H,5-6H2,1-2H3,(H,22,23)(H,24,25)InChIKey
PWMJTQUXNMHNMJ-UHFFFAOYSA-NSynonyms
6(((3(METHOXYCARBONYL)4(4METHYLPHENYL)2THIENYL)AMINO)CARBONYL)3CYCLOHEXENE1CARBOXYLICACID
6(((3METHOXYCARBONYL4(4METHYLPHENYL)2THIOPHENYL)AMINO)OXOMETHYL)1CYCLOHEX3ENECARBOXYLICACID
6((3(methoxycarbonyl)4(4methylphenyl)thiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
6((3CARBOMETHOXY4(PTOLYL)2THIENYL)CARBAMOYL)CYCLOHEX3ENE1CARBOXYLICACID
6((3METHOXYCARBONYL4(4METHYLPHENYL)THIOPHEN2YL)CARBAMOYL)CYCLOHEX3ENE1CARBOXYLICACID
6(N(3(METHOXYCARBONYL)4(4METHYLPHENYL)2THIENYL)CARBAMOYL)CYCLOHEX3ENECARBOXYLICACID
CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3CC=CCC3C(=O)O
InChI=1SC21H21NO5Sc1127913(10812)16112819(17(16)21(26)272)2218(23)14534615(14)20(24)25h347111415H56H212H3(H2223)(H2425)
MFCD02254588
ZINC000000681612
ZINC000000681615
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