Vitas-M small molecule compound
ethyl 2-({3-[(3S)-2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl]propanoyl}amino)-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK937028
SMILES CCOC(=O)c1sc(nc1C)NC(=O)CC[C@@H]1NC(=O)c2c(N=C1O)cccc2
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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 C19H20N4O5S MW 416.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N4O5S/c1-3-28-18(27)15-10(2)20-19(29-15)23-14(24)9-8-13-17(26)21-12-7-5-4-6-11(12)16(25)22-13/h4-7,13H,3,8-9H2,1-2H3,(H,21,26)(H,22,25)(H,20,23,24)/t13-/m0/s1InChIKey
VLNNWSPXEJISMI-ZDUSSCGKSA-NSynonyms
1246058-52-51246058525
CCOC(=O)C1=C(N=C(S1)NC(=O)CCC2C(=O)NC3=CC=CC=C3C(=O)N2)C
CCOC(=O)c1sc(nc1C)NC(=O)CC(C@@H)1NC(=O)c2c(N=C1O)cccc2
ethyl2((3((3S)2hydroxy5oxo45dihydro3H14benzodiazepin3yl)propanoyl)amino)4methyl13thiazole5carboxylate
ethyl2(3((3S)25dioxo34dihydro1H14benzodiazepin3yl)propanoylamino)4methyl13thiazole5carboxylate
InChI=1SC19H20N4O5Sc132818(27)1510(2)2019(2915)2314(24)981317(26)2112754611(12)16(25)2213h4713H389H212H3(H2126)(H2225)(H202324)t13m0s1
MFCD18178546
ZINC000044902401
ZINC44902401
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