Vitas-M small molecule compound

methyl (2E)-2-{[3-(2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)propanoyl]imino}-4-(2-methoxy-2-oxoethyl)-2,3-dihydro-1,3-thiazole-5-carboxylate

Catalog ID
STL540554
SMILES COC(=O)Cc1[nH]/c(=N\C(=O)CCC2NC(=O)c3c(N=C2O)cccc3)/sc1C(=O)OC

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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 C20H20N4O7S MW 460.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O7S/c1-30-15(26)9-13-16(19(29)31-2)32-20(23-13)24-14(25)8-7-12-18(28)21-11-6-4-3-5-10(11)17(27)22-12/h3-6,12H,7-9H2,1-2H3,(H,21,28)(H,22,27)(H,23,24,25)
InChIKey
AVDZQYSRHZBAHW-UHFFFAOYSA-N
Synonyms

110210196
InChI=1SC20H20N4O7Sc13015(26)91316(19(29)312)3220(2313)2414(25)871218(28)2111643510(11)17(27)2212h3612H79H212H3(H2128)(H2227)(H232425)
methyl(2E)2((3(2hydroxy5oxo45dihydro3H14benzodiazepin3yl)propanoyl)imino)4(2methoxy2oxoethyl)23dihydro13thiazole5carboxylate
methyl2(3(25dioxo34dihydro1~(H)14benzodiazepin3yl)propanoylamino)4(2methoxy2oxoethyl)13thiazole5carboxylate
MFCD31755113
ZINC000217739562
ZINC000252519052

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Available files

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