Vitas-M small molecule compound
methyl (2E)-2-{[2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]imino}-5-phenyl-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL315329
SMILES COC(=O)c1[nH]/c(=N\C(=O)C(n2nnc3c(c2=O)cccc3)C)/sc1c1ccccc1
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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 C21H17N5O4S MW 435.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O4S/c1-12(26-19(28)14-10-6-7-11-15(14)24-25-26)18(27)23-21-22-16(20(29)30-2)17(31-21)13-8-4-3-5-9-13/h3-12H,1-2H3,(H,22,23,27)InChIKey
ZJZQDYVGYSEHMP-UHFFFAOYSA-NSynonyms
CC(C(=O)NC1=NC(=C(S1)C2=CC=CC=C2)C(=O)OC)N3C(=O)C4=CC=CC=C4N=N3
COC(=O)c1(nH)c(=NC(=O)C(n2nnc3c(c2=O)cccc3)C)sc1c1ccccc1
InChI=1SC21H17N5O4Sc112(2619(28)1410671115(14)242526)18(27)23212216(20(29)302)17(3121)138435913h312H12H3(H222327)
methyl(2E)2((2(4oxo123benzotriazin3(4H)yl)propanoyl)imino)5phenyl23dihydro13thiazole4carboxylate
methyl2(2(4oxo123benzotriazin3yl)propanoylamino)5phenyl13thiazole4carboxylate
MFCD28027191
ZINC000095476986
ZINC000095476987
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