Vitas-M small molecule compound
3-{[3-(morpholin-4-ylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid
Catalog ID
STK470858
SMILES OC(=O)C1C2CCC(C1C(=O)Nc1sc3c(c1C(=O)N1CCOCC1)CCCC3)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 C23H30N2O5S MW 446.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30N2O5S/c26-20(17-13-5-7-14(8-6-13)18(17)23(28)29)24-21-19(15-3-1-2-4-16(15)31-21)22(27)25-9-11-30-12-10-25/h13-14,17-18H,1-12H2,(H,24,26)(H,28,29)InChIKey
INOGNAOBZREAQB-UHFFFAOYSA-NSynonyms
2((3(morpholine4carbonyl)4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(222)octane3carboxylicacid
3((3(morpholin4ylcarbonyl)4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(222)octane2carboxylicacid
C1CCC2=C(C1)C(=C(S2)NC(=O)C3C4CCC(C3C(=O)O)CC4)C(=O)N5CCOCC5
InChI=1SC23H30N2O5Sc2620(17135714(8613)18(17)23(28)29)242119(15312416(15)3121)22(27)2591130121025h13141718H112H2(H2426)(H2829)
MFCD06021239
ZINC000019644967
ZINC000019644976
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