Vitas-M small molecule compound
2-{[3-(methoxycarbonyl)-4-(3-methylphenyl)thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid
Catalog ID
STK452732
SMILES COC(=O)c1c(scc1c1cccc(c1)C)NC(=O)C1CCCCC1C(=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 C21H23NO5S MW 401.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO5S/c1-12-6-5-7-13(10-12)16-11-28-19(17(16)21(26)27-2)22-18(23)14-8-3-4-9-15(14)20(24)25/h5-7,10-11,14-15H,3-4,8-9H2,1-2H3,(H,22,23)(H,24,25)InChIKey
KRQONZAGIJSUPH-UHFFFAOYSA-NSynonyms
2((3(methoxycarbonyl)4(3methylphenyl)thiophen2yl)carbamoyl)cyclohexanecarboxylicacid
2((3METHOXYCARBONYL4(3METHYLPHENYL)THIOPHEN2YL)CARBAMOYL)CYCLOHEXANE1CARBOXYLICACID
2(N(3(METHOXYCARBONYL)4(3METHYLPHENYL)2THIENYL)CARBAMOYL)CYCLOHEXANECARBOXYLICACID
CC1=CC=CC(=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3CCCCC3C(=O)O
InChI=1SC21H23NO5Sc11265713(1012)16112819(17(16)21(26)272)2218(23)14834915(14)20(24)25h5710111415H3489H212H3(H2223)(H2425)
MFCD02254595
ZINC000002764292
ZINC000002764295
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