Vitas-M small molecule compound
3-{[3-(cyclopropylcarbamoyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid
Catalog ID
STK470931
SMILES CCC1CCc2c(C1)sc(c2C(=O)NC1CC1)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 C24H32N2O4S MW 444.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H32N2O4S/c1-2-12-3-10-16-17(11-12)31-23(20(16)22(28)25-15-8-9-15)26-21(27)18-13-4-6-14(7-5-13)19(18)24(29)30/h12-15,18-19H,2-11H2,1H3,(H,25,28)(H,26,27)(H,29,30)InChIKey
COGSIPNZUBGEDC-UHFFFAOYSA-NSynonyms
2((3(cyclopropylcarbamoyl)6ethyl4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(222)octane3carboxylicacid
3((3(cyclopropylcarbamoyl)6ethyl4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(222)octane2carboxylicacid
CCC1CCC2=C(C1)SC(=C2C(=O)NC3CC3)NC(=O)C4C5CCC(C4C(=O)O)CC5
InChI=1SC24H32N2O4Sc12123101617(1112)3123(20(16)22(28)25158915)2621(27)18134614(7513)19(18)24(29)30h12151819H211H21H3(H2528)(H2627)(H2930)
MFCD06021830
ZINC000019641717
ZINC000239030911
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