Vitas-M small molecule compound
methyl 5-chloro-2-({[2-(2-methylpiperidin-1-yl)-7-oxo[1,3]thiazolo[4,5-d]pyrimidin-6(7H)-yl]acetyl}amino)benzoate
Catalog ID
STL110807
SMILES COC(=O)c1cc(Cl)ccc1NC(=O)Cn1cnc2c(c1=O)sc(n2)N1CCCCC1C
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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 C21H22ClN5O4S MW 475.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN5O4S/c1-12-5-3-4-8-27(12)21-25-18-17(32-21)19(29)26(11-23-18)10-16(28)24-15-7-6-13(22)9-14(15)20(30)31-2/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,24,28)InChIKey
NXJFZEKWKIEZFO-UHFFFAOYSA-NSynonyms
CC1CCCCN1C2=NC3=C(S2)C(=O)N(C=N3)CC(=O)NC4=C(C=C(C=C4)Cl)C(=O)OC
InChI=1SC21H22ClN5O4Sc112534827(12)21251817(3221)19(29)26(112318)1016(28)24157613(22)914(15)20(30)312h6791112H35810H212H3(H2428)
methyl5chloro2(((2(2methylpiperidin1yl)7oxo(13)thiazolo(45d)pyrimidin6(7H)yl)acetyl)amino)benzoate
methyl5chloro2((2(2(2methylpiperidin1yl)7oxo(13)thiazolo(45d)pyrimidin6yl)acetyl)amino)benzoate
MFCD20745655
ZINC000067317140
ZINC000067317142
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