Vitas-M small molecule compound
ethyl 2-({[(3S)-2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl]acetyl}amino)-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK936384
SMILES CCOC(=O)c1sc(nc1C)NC(=O)C[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 C18H18N4O5S MW 402.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O5S/c1-3-27-17(26)14-9(2)19-18(28-14)22-13(23)8-12-16(25)20-11-7-5-4-6-10(11)15(24)21-12/h4-7,12H,3,8H2,1-2H3,(H,20,25)(H,21,24)(H,19,22,23)/t12-/m0/s1InChIKey
ONPJYTKCIIFGQV-LBPRGKRZSA-NSynonyms
1246064-44-71246064447
CCOC(=O)C1=C(N=C(S1)NC(=O)CC2C(=O)NC3=CC=CC=C3C(=O)N2)C
CCOC(=O)c1sc(nc1C)NC(=O)C(C@@H)1NC(=O)c2c(N=C1O)cccc2
ethyl2((((3S)2hydroxy5oxo45dihydro3H14benzodiazepin3yl)acetyl)amino)4methyl13thiazole5carboxylate
ethyl2((2((3S)25dioxo34dihydro1H14benzodiazepin3yl)acetyl)amino)4methyl13thiazole5carboxylate
InChI=1SC18H18N4O5Sc132717(26)149(2)1918(2814)2213(23)81216(25)2011754610(11)15(24)2112h4712H38H212H3(H2025)(H2124)(H192223)t12m0s1
MFCD18178341
ZINC000044901852
ZINC44901852
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