Vitas-M small molecule compound
3-{[3-(cyclopropylcarbamoyl)-4-phenylthiophen-2-yl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid
Catalog ID
STL428933
SMILES O=C(C1C2CCC(C1C(=O)O)CC2)Nc1scc(c1C(=O)NC1CC1)c1ccccc1
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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 C24H26N2O4S MW 438.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O4S/c27-21(18-14-6-8-15(9-7-14)19(18)24(29)30)26-23-20(22(28)25-16-10-11-16)17(12-31-23)13-4-2-1-3-5-13/h1-5,12,14-16,18-19H,6-11H2,(H,25,28)(H,26,27)(H,29,30)InChIKey
FHJZVGCDWRDORB-UHFFFAOYSA-NSynonyms
2((3(cyclopropylcarbamoyl)4phenylthiophen2yl)carbamoyl)bicyclo(222)octane3carboxylicacid
3((3(cyclopropylcarbamoyl)4phenylthiophen2yl)carbamoyl)bicyclo(222)octane2carboxylicacid
3(N(3(NCYCLOPROPYLCARBAMOYL)4PHENYL2THIENYL)CARBAMOYL)BICYCLO(222)OCTANE2CARBOXYLICACID
C1CC2CCC1C(C2C(=O)O)C(=O)NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)NC5CC5
InChI=1SC24H26N2O4Sc2721(18146815(9714)19(18)24(29)30)262320(22(28)2516101116)17(123123)134213513h151214161819H611H2(H2528)(H2627)(H2930)
MFCD06025933
ZINC000017102397
ZINC000017102403
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