Vitas-M small molecule compound
ethyl 3-cyclohexyl-8-[(phenylcarbonyl)amino]-3,4-dihydro-2H-thieno[3,2-h][1,3]benzoxazine-7-carboxylate
Catalog ID
STK280220
SMILES CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1ccc1c2OCN(C1)C1CCCCC1
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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 C26H28N2O4S MW 464.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O4S/c1-2-31-26(30)21-20-14-13-18-15-28(19-11-7-4-8-12-19)16-32-22(18)23(20)33-25(21)27-24(29)17-9-5-3-6-10-17/h3,5-6,9-10,13-14,19H,2,4,7-8,11-12,15-16H2,1H3,(H,27,29)InChIKey
PSSPKQPRJPHLDN-UHFFFAOYSA-NSynonyms
300406-18-2300406182
CCOC(=O)C1=C(SC2=C1C=CC3=C2OCN(C3)C4CCCCC4)NC(=O)C5=CC=CC=C5
ethyl3cyclohexyl8((phenylcarbonyl)amino)34dihydro2Hthieno(32h)(13)benzoxazine7carboxylate
ETHYL8(BENZOYLAMINO)3CYCLOHEXYL34DIHYDRO2HTHIENO(32H)(13)BENZOXAZINE7CARBOXYLATE
ETHYL8BENZAMIDO3CYCLOHEXYL24DIHYDROTHIENO(32H)(13)BENZOXAZINE7CARBOXYLATE
InChI=1SC26H28N2O4Sc123126(30)21201413181528(19117481219)163222(18)23(20)3325(21)2724(29)1795361017h356910131419H247811121516H21H3(H2729)
MFCD00316612
ZINC000055007566
ZINC55007566
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