Vitas-M small molecule compound
methyl (2E)-5-(2-methylpropyl)-2-{[2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]imino}-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL315897
SMILES COC(=O)c1[nH]/c(=N\C(=O)C(n2nnc3c(c2=O)cccc3)C)/sc1CC(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/c1-10(2)9-14-15(18(27)28-4)20-19(29-14)21-16(25)11(3)24-17(26)12-7-5-6-8-13(12)22-23-24/h5-8,10-11H,9H2,1-4H3,(H,20,21,25)InChIKey
KTHFCYYVVOFYGA-UHFFFAOYSA-NSynonyms
CC(C)CC1=C(N=C(S1)NC(=O)C(C)N2C(=O)C3=CC=CC=C3N=N2)C(=O)OC
COC(=O)c1(nH)c(=NC(=O)C(n2nnc3c(c2=O)cccc3)C)sc1CC(C)C
InChI=1SC19H21N5O4Sc110(2)91415(18(27)284)2019(2914)2116(25)11(3)2417(26)12756813(12)222324h581011H9H214H3(H202125)
methyl(2E)5(2methylpropyl)2((2(4oxo123benzotriazin3(4H)yl)propanoyl)imino)23dihydro13thiazole4carboxylate
methyl5(2methylpropyl)2(2(4oxo123benzotriazin3yl)propanoylamino)13thiazole4carboxylate
MFCD28027513
ZINC000095477363
ZINC000095477364
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