Vitas-M small molecule compound
methyl (2Z)-5-methyl-2-{[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]imino}-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL312685
SMILES COC(=O)c1[nH]/c(=N/C(=O)CCCn2nnc3c(c2=O)cccc3)/sc1C
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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 C17H17N5O4S MW 387.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N5O4S/c1-10-14(16(25)26-2)19-17(27-10)18-13(23)8-5-9-22-15(24)11-6-3-4-7-12(11)20-21-22/h3-4,6-7H,5,8-9H2,1-2H3,(H,18,19,23)InChIKey
MJMCBWMCBSYAEG-UHFFFAOYSA-NSynonyms
1401556-58-81401556588
CC1=C(N=C(S1)NC(=O)CCCN2C(=O)C3=CC=CC=C3N=N2)C(=O)OC
COC(=O)c1(nH)c(=NC(=O)CCCn2nnc3c(c2=O)cccc3)sc1C
InChI=1SC17H17N5O4Sc11014(16(25)262)1917(2710)1813(23)8592215(24)11634712(11)202122h3467H589H212H3(H181923)
methyl(2Z)5methyl2((4(4oxo123benzotriazin3(4H)yl)butanoyl)imino)23dihydro13thiazole4carboxylate
methyl5methyl2(4(4oxo123benzotriazin3yl)butanoylamino)13thiazole4carboxylate
MFCD28026789
ZINC000079482698
ZINC79482698
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