Vitas-M small molecule compound
methyl N-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}valinate
Catalog ID
STL553365
SMILES COC(=O)C(C(C)C)NC(=S)N1C[C@H]2CC(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 C18H25N3O3S MW 363.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H25N3O3S/c1-11(2)16(17(23)24-3)19-18(25)20-8-12-7-13(10-20)14-5-4-6-15(22)21(14)9-12/h4-6,11-13,16H,7-10H2,1-3H3,(H,19,25)/t12-,13?,16?/m0/s1InChIKey
FPCMGCJRDLHNDM-FUJMWEONSA-NSynonyms
16400750
COC(=O)C(C(C)C)NC(=S)N1C(C@@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC18H25N3O3Sc111(2)16(17(23)243)1918(25)20812713(1020)1454615(22)21(14)912h46111316H710H213H3(H1925)t1213?16?m0s1
methyl3methyl2(((9~(R))6oxo711diazatricyclo(7310^(27))trideca24diene11carbothioyl)amino)butanoate
methyl3methyl2((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbothioamido)butanoate
methylN(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)valinate
ZINC000002111551
ZINC000002111552
Check stock
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