Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-3-[(3S,11E)-14,16-dihydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-15-yl]-N-{(2S)-4-(methylsulfanyl)-1-oxo-1-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]bu
Catalog ID
STL561783
SMILES CSCC[C@@H](C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(=O)CC(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)c1ccc2c(c1)OCO2
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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 C44H51N3O10S MW 813.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C44H51N3O10S/c1-26-8-6-11-31(48)10-5-3-4-9-29-19-35(49)41(42(52)40(29)44(54)57-26)32(28-14-15-36-37(20-28)56-25-55-36)21-38(50)45-33(16-17-58-2)43(53)46-22-27-18-30(24-46)34-12-7-13-39(51)47(34)23-27/h4,7,9,12-15,19-20,26-27,30,32-33,49,52H,3,5-6InChIKey
VZSVLYJJKPQASO-RTTNDDFLSA-NSynonyms
145705139
3(13benzodioxol5yl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N((2S)4(methylsulfanyl)1oxo1((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)bu
3(13benzodioxol5yl)3((4S12E)1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)N((2S)4methylsulfanyl1oxo1((1S9R)6oxo711diazatricyclo(731027)trideca24dien11yl)butan2yl)propanamide
CSCC(C@@H)(C(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)NC(=O)CC(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)c1ccc2c(c1)OCO2
InChI=1SC44H51N3O10Sc126861131(48)105349291935(49)41(42(52)40(29)44(54)5726)32(2814153637(2028)56255536)2138(50)4533(1617582)43(53)4622271830(2446)341271339(51)47(34)2327h4791215192026273032334952H3568101116182125H212H3(H4550)b94+t2627+3032?33m0s1
MFCD32650848
RO2H15METHANOPYRIDO(12A)(15)DIAZOCIN3(4H)YL)BU
ZINC001848443119
ZINC001848443120
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