Vitas-M small molecule compound
2-{[3-(butoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid
Catalog ID
STK451275
SMILES CCCCOC(=O)c1c(NC(=O)C2CCCCC2C(=O)O)sc2c1CCCC2
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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 C21H29NO5S MW 407.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29NO5S/c1-2-3-12-27-21(26)17-15-10-6-7-11-16(15)28-19(17)22-18(23)13-8-4-5-9-14(13)20(24)25/h13-14H,2-12H2,1H3,(H,22,23)(H,24,25)InChIKey
WVBDMEVHCIXOOZ-UHFFFAOYSA-NSynonyms
2((3(butoxycarbonyl)4567tetrahydro1benzothiophen2yl)carbamoyl)cyclohexanecarboxylicacid
2((3butoxycarbonyl4567tetrahydro1benzothiophen2yl)carbamoyl)cyclohexane1carboxylicacid
CCCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CCCCC3C(=O)O
InChI=1SC21H29NO5Sc123122721(26)171510671116(15)2819(17)2218(23)13845914(13)20(24)25h1314H212H21H3(H2223)(H2425)
MFCD02254213
ZINC000002103397
ZINC000002103403
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