Vitas-M small molecule compound
methyl (2Z)-2-({[2-hydroxy-5-oxo-1-(2-phenylethyl)-4,5-dihydro-1H-imidazol-4-yl]acetyl}imino)-5-(propan-2-yl)-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL313133
SMILES COC(=O)c1[nH]/c(=N/C(=O)CC2N=C(N(C2=O)CCc2ccccc2)O)/sc1C(C)C
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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 C21H24N4O5S MW 444.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O5S/c1-12(2)17-16(19(28)30-3)24-20(31-17)23-15(26)11-14-18(27)25(21(29)22-14)10-9-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,22,29)(H,23,24,26)InChIKey
XNOLUDMTJUWHFA-UHFFFAOYSA-NSynonyms
CC(C)C1=C(N=C(S1)NC(=O)CC2C(=O)N(C(=O)N2)CCC3=CC=CC=C3)C(=O)OC
COC(=O)c1(nH)c(=NC(=O)CC2N=C(N(C2=O)CCc2ccccc2)O)sc1C(C)C
InChI=1SC21H24N4O5Sc112(2)1716(19(28)303)2420(3117)2315(26)111418(27)25(21(29)2214)109137546813h481214H911H213H3(H2229)(H232426)
methyl(2Z)2(((2hydroxy5oxo1(2phenylethyl)45dihydro1Himidazol4yl)acetyl)imino)5(propan2yl)23dihydro13thiazole4carboxylate
methyl2((2(25dioxo1(2phenylethyl)imidazolidin4yl)acetyl)amino)5propan2yl13thiazole4carboxylate
MFCD28029928
ZINC000095475287
ZINC000095475288
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