Vitas-M small molecule compound
3-({3-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]thiophen-2-yl}carbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK467148
SMILES O=C(C1C2CCC(C1C(=O)O)O2)Nc1sccc1C(=O)NCc1ccc2c(c1)OCO2
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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 C21H20N2O7S MW 444.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O7S/c24-18(22-8-10-1-2-12-15(7-10)29-9-28-12)11-5-6-31-20(11)23-19(25)16-13-3-4-14(30-13)17(16)21(26)27/h1-2,5-7,13-14,16-17H,3-4,8-9H2,(H,22,24)(H,23,25)(H,26,27)InChIKey
VAWQIHGWOSEKLB-UHFFFAOYSA-NSynonyms
2((3(13benzodioxol5ylmethylcarbamoyl)thiophen2yl)carbamoyl)7oxabicyclo(221)heptane3carboxylicacid
3((3((13benzodioxol5ylmethyl)carbamoyl)thiophen2yl)carbamoyl)7oxabicyclo(221)heptane2carboxylicacid
3(N(3(N(2HBENZO(34D)13DIOXOLAN5YLMETHYL)CARBAMOYL)2THIENYL)CARBAMOYL)7OXABICYCLO(221)HEPTANE2CARBOXYLICACID
C1CC2C(C(C1O2)C(=O)NC3=C(C=CS3)C(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)O
InChI=1SC21H20N2O7Sc2418(22810121215(710)2992812)11563120(11)2319(25)16133414(3013)17(16)21(26)27h125713141617H3489H2(H2224)(H2325)(H2627)
MFCD06026155
ZINC000225748477
ZINC000239231154
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