Vitas-M small molecule compound
N-{3-[(2-phenylethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Catalog ID
STK813002
SMILES O=C(C1COc2c(O1)cccc2)Nc1sc2c(c1C(=O)NCCc1ccccc1)CCCC2
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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 C26H26N2O4S MW 462.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O4S/c29-24(21-16-31-19-11-5-6-12-20(19)32-21)28-26-23(18-10-4-7-13-22(18)33-26)25(30)27-15-14-17-8-2-1-3-9-17/h1-3,5-6,8-9,11-12,21H,4,7,10,13-16H2,(H,27,30)(H,28,29)InChIKey
JCCREZATSIVUDT-UHFFFAOYSA-NSynonyms
C1CCC2=C(C1)C(=C(S2)NC(=O)C3COC4=CC=CC=C4O3)C(=O)NCCC5=CC=CC=C5
InChI=1SC26H26N2O4Sc2924(2116311911561220(19)3221)282623(1810471322(18)3326)25(30)271514178213917h135689111221H47101316H2(H2730)(H2829)
MFCD03719381
N(3((2phenylethyl)carbamoyl)4567tetrahydro1benzothiophen2yl)23dihydro14benzodioxine2carboxamide
N(3(2phenylethylcarbamoyl)4567tetrahydro1benzothiophen2yl)23dihydro14benzodioxine3carboxamide
ZINC000001099085
ZINC000001099086
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