Vitas-M small molecule compound
ethyl 4-({[(3R)-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindol-3-yl]carbonyl}amino)benzoate
Catalog ID
STK631229
SMILES CCOC(=O)c1ccc(cc1)NC(=O)[C@@H]1CSC2N1C(=O)c1c2cccc1
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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 C20H18N2O4S MW 382.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O4S/c1-2-26-20(25)12-7-9-13(10-8-12)21-17(23)16-11-27-19-15-6-4-3-5-14(15)18(24)22(16)19/h3-10,16,19H,2,11H2,1H3,(H,21,23)/t16-,19?/m0/s1InChIKey
MCPOSQMETRCXIY-UCFFOFKASA-NSynonyms
956814-64-5956814645
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CSC3N2C(=O)C4=CC=CC=C34
CCOC(=O)c1ccc(cc1)NC(=O)(C@@H)1CSC2N1C(=O)c1c2cccc1
ethyl4((((3R)5oxo2359btetrahydro(13)thiazolo(23a)isoindol3yl)carbonyl)amino)benzoate
ethyl4(((3R)5oxo39bdihydro2H(13)thiazolo(23a)isoindole3carbonyl)amino)benzoate
ethyl4((3R)5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamido)benzoate
InChI=1SC20H18N2O4Sc122620(25)127913(10812)2117(23)1611271915643514(15)18(24)22(16)19h3101619H211H21H3(H2123)t1619?m0s1
MFCD10488893
ZINC000013550151
ZINC000013550154
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