Vitas-M small molecule compound
methyl [4-({[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)phenyl]acetate
Catalog ID
STK688504
SMILES COC(=O)Cc1ccc(cc1)NC(=S)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
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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 C21H23N3O3S MW 397.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O3S/c1-27-20(26)10-14-5-7-17(8-6-14)22-21(28)23-11-15-9-16(13-23)18-3-2-4-19(25)24(18)12-15/h2-8,15-16H,9-13H2,1H3,(H,22,28)/t15-,16+/m0/s1InChIKey
CXLQVJMSLUADPR-JKSUJKDBSA-NSynonyms
1071554-79-41071554794
COC(=O)Cc1ccc(cc1)NC(=S)N1C(C@@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
COC(=O)Cc1ccc(cc1)NC(=S)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
methyl(4((((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)amino)phenyl)acetate
methyl2(4((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbothioamido)phenyl)acetate
MFCD07657772
ZINC000100216129
Check stock
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