Vitas-M small molecule compound
propyl 6-methyl-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)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL533114
SMILES CCCOC(=O)c1c(NC(=S)N2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)sc2c1CCC(C2)C
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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 C25H31N3O3S2 MW 485.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O3S2/c1-3-9-31-24(30)22-18-8-7-15(2)10-20(18)33-23(22)26-25(32)27-12-16-11-17(14-27)19-5-4-6-21(29)28(19)13-16/h4-6,15-17H,3,7-14H2,1-2H3,(H,26,32)/t15?,16-,17+/m0/s1InChIKey
UCHBDBXLCBLYSX-LRUHZDSUSA-NSynonyms
956709-20-916399918
956709209
CCCOC(=O)c1c(NC(=S)N2C(C@@H)3C(C@H)(C2)c2n(C3)c(=O)ccc2)sc2c1CCC(C2)C
InChI=1SC25H31N3O3S2c1393124(30)22188715(2)1020(18)3323(22)2625(32)2712161117(1427)1954621(29)28(19)1316h461517H3714H212H3(H2632)t15?1617+m0s1
MFCD04146466
propyl6methyl2((((1R5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
propyl6methyl2(((1~(R)9~(R))6oxo711diazatricyclo(7310^(27))trideca24diene11carbothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
propyl6methyl2((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbothioamido)4567tetrahydrobenzo(b)thiophene3carboxylate
ZINC000002107021
ZINC000002107022
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