Vitas-M small molecule compound
3-{[5-benzyl-3-(methoxycarbonyl)thiophen-2-yl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Catalog ID
STK471120
SMILES COC(=O)c1cc(sc1NC(=O)C1C2CCC(C1C(=O)O)C=C2)Cc1ccccc1
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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 C23H23NO5S MW 425.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO5S/c1-29-23(28)17-12-16(11-13-5-3-2-4-6-13)30-21(17)24-20(25)18-14-7-9-15(10-8-14)19(18)22(26)27/h2-7,9,12,14-15,18-19H,8,10-11H2,1H3,(H,24,25)(H,26,27)InChIKey
AZZQOIYZQRYBDE-UHFFFAOYSA-NSynonyms
2((5benzyl3methoxycarbonylthiophen2yl)carbamoyl)bicyclo(222)oct5ene3carboxylicacid
3((5benzyl3(methoxycarbonyl)thiophen2yl)carbamoyl)bicyclo(222)oct5ene2carboxylicacid
3(N(3(METHOXYCARBONYL)5BENZYL2THIENYL)CARBAMOYL)BICYCLO(222)OCT5ENE2CARBOXYLICACID
COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=O)C3C4CCC(C3C(=O)O)C=C4
InChI=1SC23H23NO5Sc12923(28)171216(11135324613)3021(17)2420(25)18147915(10814)19(18)22(26)27h2791214151819H81011H21H3(H2425)(H2627)
MFCD06022421
ZINC000102341165
ZINC000239274969
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