Vitas-M small molecule compound
3-{[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}bicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK424169
SMILES CCCOC(=O)c1c(NC(=O)C2C3CCC(C2C(=O)O)C3)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 C21H27NO5S MW 405.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO5S/c1-2-9-27-21(26)17-13-5-3-4-6-14(13)28-19(17)22-18(23)15-11-7-8-12(10-11)16(15)20(24)25/h11-12,15-16H,2-10H2,1H3,(H,22,23)(H,24,25)InChIKey
HRLXEJZZCIFVET-UHFFFAOYSA-NSynonyms
2((3propoxycarbonyl4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(221)heptane3carboxylicacid
3((3(propoxycarbonyl)4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(221)heptane2carboxylicacid
CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3C4CCC(C4)C3C(=O)O
InChI=1SC21H27NO5Sc1292721(26)1713534614(13)2819(17)2218(23)15117812(1011)16(15)20(24)25h11121516H210H21H3(H2223)(H2425)
MFCD01922645
ZINC000102188015
ZINC000239309550
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