Vitas-M small molecule compound
3-[(2Z)-2-{(2E)-2-[3-(2-hydroxyethyl)-5-oxo-1-propyl-2-thioxoimidazolidin-4-ylidene]ethylidene}-1,3-benzoxazol-3(2H)-yl]propanoic acid
Catalog ID
STK396579
SMILES OCCN1/C(=C/C=c/2\oc3c(n2CCC(=O)O)cccc3)/C(=O)N(C1=S)CCC
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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 C20H23N3O5S MW 417.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O5S/c1-2-10-23-19(27)15(22(12-13-24)20(23)29)7-8-17-21(11-9-18(25)26)14-5-3-4-6-16(14)28-17/h3-8,24H,2,9-13H2,1H3,(H,25,26)/b15-7+,17-8-InChIKey
MLOUQZCXEHRJSD-FKYNTUOXSA-NSynonyms
3((2Z)2((2E)2(3(2HYDROXYETHYL)5OXO1PROPYL2SULFANYLIDENEIMIDAZOLIDIN4YLIDENE)ETHYLIDENE)13BENZOXAZOL3YL)PROPANOICACID
3((2Z)2((2E)2(3(2HYDROXYETHYL)5OXO1PROPYL2THIOXOIMIDAZOLIDIN4YLIDENE)ETHYLIDENE)13BENZOXAZOL3(2H)YL)PROPANOICACID
3((E)2((Z)2(3(2hydroxyethyl)5oxo1propyl2thioxoimidazolidin4ylidene)ethylidene)benzo(d)oxazol3(2H)yl)propanoicacid
CCCN1C(=O)C(=CC=C2N(C3=CC=CC=C3O2)CCC(=O)O)N(C1=S)CCO
InChI=1SC20H23N3O5Sc12102319(27)15(22(121324)20(23)29)781721(11918(25)26)14534616(14)2817h3824H2913H21H3(H2526)b157+178
MFCD11853607
OCCN1C(=CC=c2oc3c(n2CCC(=O)O)cccc3)C(=O)N(C1=S)CCC
ZINC000004774860
ZINC4774860
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