Vitas-M small molecule compound

2-{[4-(3,4-dimethylphenyl)-3-(methoxycarbonyl)thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid

Catalog ID
STK424001
SMILES COC(=O)c1c(scc1c1ccc(c(c1)C)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 C22H25NO5S MW 415.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO5S/c1-12-8-9-14(10-13(12)2)17-11-29-20(18(17)22(27)28-3)23-19(24)15-6-4-5-7-16(15)21(25)26/h8-11,15-16H,4-7H2,1-3H3,(H,23,24)(H,25,26)
InChIKey
OENBRSLSVSGSTI-UHFFFAOYSA-N
Synonyms

2((4(34dimethylphenyl)3(methoxycarbonyl)thiophen2yl)carbamoyl)cyclohexanecarboxylicacid
2((4(34DIMETHYLPHENYL)3METHOXYCARBONYLTHIOPHEN2YL)CARBAMOYL)CYCLOHEXANE1CARBOXYLICACID
2(N(4(34DIMETHYLPHENYL)3(METHOXYCARBONYL)2THIENYL)CARBAMOYL)CYCLOHEXANECARBOXYLICACID
CC1=C(C=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3CCCCC3C(=O)O)C
InChI=1SC22H25NO5Sc1128914(1013(12)2)17112920(18(17)22(27)283)2319(24)15645716(15)21(25)26h8111516H47H213H3(H2324)(H2526)
MFCD02177131
ZINC000002767824
ZINC000002767827

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Available files

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