Vitas-M small molecule compound
3-[(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Catalog ID
STK468826
SMILES O=C(C1C2CCC(C1C(=O)O)C=C2)Nc1sc2c(c1C(=O)N)CCC(C2)C(C)(C)C
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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 C23H30N2O4S MW 430.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30N2O4S/c1-23(2,3)13-8-9-14-15(10-13)30-21(18(14)19(24)26)25-20(27)16-11-4-6-12(7-5-11)17(16)22(28)29/h4,6,11-13,16-17H,5,7-10H2,1-3H3,(H2,24,26)(H,25,27)(H,28,29)InChIKey
WMSULPLDRZCYDX-UHFFFAOYSA-NSynonyms
2((6tertbutyl3carbamoyl4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(222)oct5ene3carboxylicacid
3((6tertbutyl3carbamoyl4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(222)oct5ene2carboxylicacid
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3C4CCC(C3C(=O)O)C=C4
InChI=1SC23H30N2O4Sc123(23)13891415(1013)3021(18(14)19(24)26)2520(27)16114612(7511)17(16)22(28)29h4611131617H5710H213H3(H22426)(H2527)(H2829)
MFCD06060213
ZINC000102335172
ZINC000239235683
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