Vitas-M small molecule compound
methyl 4-(4-methylphenyl)-2-({[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)thiophene-3-carboxylate
Catalog ID
STL532688
SMILES COC(=O)c1c(scc1c1ccc(cc1)C)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 C25H25N3O3S2 MW 479.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O3S2/c1-15-6-8-17(9-7-15)19-14-33-23(22(19)24(30)31-2)26-25(32)27-11-16-10-18(13-27)20-4-3-5-21(29)28(20)12-16/h3-9,14,16,18H,10-13H2,1-2H3,(H,26,32)/t16-,18+/m0/s1InChIKey
FTAUTOFBCQPHPO-FUHWJXTLSA-NSynonyms
1212117-93-51212117935
1806141
COC(=O)c1c(scc1c1ccc(cc1)C)NC(=S)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC25H25N3O3S2c1156817(9715)19143323(22(19)24(30)312)2625(32)2711161018(1327)2043521(29)28(20)1216h39141618H1013H212H3(H2632)t1618+m0s1
methyl2((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbothioamido)4(ptolyl)thiophene3carboxylate
methyl4(4methylphenyl)2((((1R5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)amino)thiophene3carboxylate
methyl4(4methylphenyl)2(((1~(R)9~(R))6oxo711diazatricyclo(7310^(27))trideca24diene11carbothioyl)amino)thiophene3carboxylate
MFCD04145486
ZINC000002158135
ZINC2158135
Check stock
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