Vitas-M small molecule compound
ethyl 4-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)benzoate
Catalog ID
STL536488
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2
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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 C19H25N3O4S MW 391.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N3O4S/c1-2-26-18(24)12-7-9-13(10-8-12)20-16(23)6-4-3-5-15-17-14(11-27-15)21-19(25)22-17/h7-10,14-15,17H,2-6,11H2,1H3,(H,20,23)(H2,21,22,25)/t14-,15-,17-/m0/s1InChIKey
KHENEYZEEQJVHN-ZOBUZTSGSA-NSynonyms
1448017-21-71448017217
52905088
CCOC(=O)c1ccc(cc1)NC(=O)CCCC(C@@H)1SC(C@H)2(C@@H)1NC(=O)N2
ethyl4((5((3aS4S6aR)2oxohexahydro1Hthieno(34d)imidazol4yl)pentanoyl)amino)benzoate
ethyl4(5((3~(a)~(S)4~(S)6~(a)~(R))2oxo133~(a)466~(a)hexahydrothieno(34d)imidazol4yl)pentanoylamino)benzoate
ETHYL4(5((3AS4S6AR)2OXOHEXAHYDRO1HTHIENO(34D)IMIDAZOL4YL)PENTANAMIDO)BENZOATE
InChI=1SC19H25N3O4Sc122618(24)127913(10812)2016(23)6435151714(112715)2119(25)2217h710141517H2611H21H3(H2023)(H2212225)t141517m0s1
ZINC000062001365
ZINC62001365
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