Vitas-M small molecule compound
ethyl [(2E)-2-({(E)-N-[(4-hydroxyphthalazin-1-yl)acetyl]-beta-alanyl}imino)-2,3-dihydro-1,3-thiazol-4-yl]acetate
Catalog ID
STK636745
SMILES CCOC(=O)Cc1cs/c(=N/C(=O)CCNC(=O)Cc2nnc(c3c2cccc3)O)/[nH]1
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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 C20H21N5O5S MW 443.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O5S/c1-2-30-18(28)9-12-11-31-20(22-12)23-16(26)7-8-21-17(27)10-15-13-5-3-4-6-14(13)19(29)25-24-15/h3-6,11H,2,7-10H2,1H3,(H,21,27)(H,25,29)(H,22,23,26)InChIKey
PFAGXXHSXPPWAR-UHFFFAOYSA-NSynonyms
951968-44-8951968448
CCOC(=O)CC1=CSC(=N1)NC(=O)CCNC(=O)CC2=NNC(=O)C3=CC=CC=C32
CCOC(=O)Cc1csc(=NC(=O)CCNC(=O)Cc2nnc(c3c2cccc3)O)(nH)1
ethyl((2E)2(((E)N((4hydroxyphthalazin1yl)acetyl)betaalanyl)imino)23dihydro13thiazol4yl)acetate
ethyl2(2(3((2(4oxo3Hphthalazin1yl)acetyl)amino)propanoylamino)13thiazol4yl)acetate
InChI=1SC20H21N5O5Sc123018(28)912113120(2212)2316(26)782117(27)101513534614(13)19(29)252415h3611H2710H21H3(H2127)(H2529)(H222326)
MFCD18161156
ZINC000013730479
ZINC13730479
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