Vitas-M small molecule compound
methyl (2Z)-2-{[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]imino}-5-phenyl-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL249527
SMILES COC(=O)c1[nH]/c(=N/C(=O)Cn2nnc3c(c2=O)cccc3)/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 C20H15N5O4S MW 421.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N5O4S/c1-29-19(28)16-17(12-7-3-2-4-8-12)30-20(22-16)21-15(26)11-25-18(27)13-9-5-6-10-14(13)23-24-25/h2-10H,11H2,1H3,(H,21,22,26)InChIKey
XPHCKQLPZPCWGL-UHFFFAOYSA-NSynonyms
1351699-88-11351699881
COC(=O)c1(nH)c(=NC(=O)Cn2nnc3c(c2=O)cccc3)sc1c1ccccc1
COC(=O)C1=C(SC(=N1)NC(=O)CN2C(=O)C3=CC=CC=C3N=N2)C4=CC=CC=C4
InChI=1SC20H15N5O4Sc12919(28)1617(127324812)3020(2216)2115(26)112518(27)139561014(13)232425h210H11H21H3(H212226)
methyl(2Z)2(((4oxo123benzotriazin3(4H)yl)acetyl)imino)5phenyl23dihydro13thiazole4carboxylate
methyl2((2(4oxo123benzotriazin3yl)acetyl)amino)5phenyl13thiazole4carboxylate
MFCD24861557
ZINC000072401196
ZINC72401196
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