Vitas-M small molecule compound
methyl (2Z)-2-{[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]imino}-5-(propan-2-yl)-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL318516
SMILES COC(=O)c1[nH]/c(=N/C(=O)CCCn2nnc3c(c2=O)cccc3)/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 C19H21N5O4S MW 415.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N5O4S/c1-11(2)16-15(18(27)28-3)21-19(29-16)20-14(25)9-6-10-24-17(26)12-7-4-5-8-13(12)22-23-24/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,20,21,25)InChIKey
ZUGLBAXYHMLGML-UHFFFAOYSA-NSynonyms
1401600-64-31401600643
CC(C)C1=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(C)C
InChI=1SC19H21N5O4Sc111(2)1615(18(27)283)2119(2916)2014(25)96102417(26)12745813(12)222324h457811H6910H213H3(H202125)
methyl(2Z)2((4(4oxo123benzotriazin3(4H)yl)butanoyl)imino)5(propan2yl)23dihydro13thiazole4carboxylate
methyl2(4(4oxo123benzotriazin3yl)butanoylamino)5propan2yl13thiazole4carboxylate
MFCD28031330
ZINC000079488545
ZINC79488545
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