Vitas-M small molecule compound
3-[(3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
Catalog ID
STK468620
SMILES CCCC1CCc2c(C1)sc(c2C(=O)N)NC(=O)C1C2CCC(C1C(=O)O)CC2
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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 C22H30N2O4S MW 418.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N2O4S/c1-2-3-11-4-9-14-15(10-11)29-21(18(14)19(23)25)24-20(26)16-12-5-7-13(8-6-12)17(16)22(27)28/h11-13,16-17H,2-10H2,1H3,(H2,23,25)(H,24,26)(H,27,28)InChIKey
VLLUAGVDCRMXJZ-UHFFFAOYSA-NSynonyms
2((3carbamoyl6propyl4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(222)octane3carboxylicacid
3((3carbamoyl6propyl4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(222)octane2carboxylicacid
CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3C4CCC(C3C(=O)O)CC4
InChI=1SC22H30N2O4Sc12311491415(1011)2921(18(14)19(23)25)2420(26)16125713(8612)17(16)22(27)28h11131617H210H21H3(H22325)(H2426)(H2728)
MFCD06061074
ZINC000017091530
ZINC000239425909
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