Vitas-M small molecule compound

6-[(4-butylphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid

Catalog ID
STK426130
SMILES CCCCc1ccc(cc1)NC(=O)C1CC(=C(CC1C(=O)O)C)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 C20H27NO3 MW 329.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27NO3/c1-4-5-6-15-7-9-16(10-8-15)21-19(22)17-11-13(2)14(3)12-18(17)20(23)24/h7-10,17-18H,4-6,11-12H2,1-3H3,(H,21,22)(H,23,24)
InChIKey
HTBUQHQMFMYKKY-UHFFFAOYSA-N
Synonyms

(1R6S)6((4BUTYLPHENYL)CARBAMOYL)34DIMETHYLCYCLOHEX3ENE1CARBOXYLICACID
(1S6R)6((4BUTYLPHENYL)CARBAMOYL)34DIMETHYLCYCLOHEX3ENE1CARBOXYLICACID
(1S6S)6((4BUTYLPHENYL)CARBAMOYL)34DIMETHYLCYCLOHEX3ENE1CARBOXYLICACID
6((4BUTYLANILINO)CARBONYL)34DIMETHYL3CYCLOHEXENE1CARBOXYLICACID
6((4butylphenyl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
6(N(4BUTYLPHENYL)CARBAMOYL)34DIMETHYLCYCLOHEX3ENECARBOXYLICACID
CCCCC1=CC=C(C=C1)NC(=O)C2CC(=C(CC2C(=O)O)C)C
InChI=1SC20H27NO3c1456157916(10815)2119(22)171113(2)14(3)1218(17)20(23)24h7101718H461112H213H3(H2122)(H2324)
MFCD02609489
ZINC000002109215
ZINC000002109221

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Available files

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