Vitas-M small molecule compound
7-chloro-2'-hydroxy-3'-{1-(4-hydroxy-3-methoxyphenyl)-3-[(1S,5R)-9-nitro-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]-3-oxopropyl}-4,6-dimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione
Catalog ID
STL551733
SMILES COc1cc(ccc1O)C(C1=C(O)C2(C(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-]
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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 C37H36ClN3O12 MW 750.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H36ClN3O12/c1-17-9-25(43)30(34(45)37(17)35(46)31-27(51-3)13-28(52-4)32(38)33(31)53-37)21(19-5-8-24(42)26(11-19)50-2)12-29(44)39-14-18-10-20(16-39)22-6-7-23(41(48)49)36(47)40(22)15-18/h5-8,11,13,17-18,20-21,42,45H,9-10,12,14-16H2,1-4H3/t17?,18-InChIKey
KYIWSTFITXXGRQ-IEPUDYJWSA-NSynonyms
135640086
7chloro2hydroxy3(1(4hydroxy3methoxyphenyl)3((1S5R)9nitro8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)3oxopropyl)46dimethoxy6methyl3H4Hspiro(1benzofuran21cyclohex(2)ene)34dione
7chloro3hydroxy2(1(4hydroxy3methoxyphenyl)3((1~(S)9~(R))5nitro6oxo711diazatricyclo(7310^(27))trideca24dien11yl)3oxopropyl)46dimethoxy5methylspiro(1benzofuran24cyclohex2ene)13dione
COc1cc(ccc1O)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)c(cc1)(N+)(=O)(O)
InChI=1SC37H36ClN3O12c117925(43)30(34(45)37(17)35(46)3127(513)1328(524)32(38)33(31)5337)21(195824(42)26(1119)502)1229(44)3914181020(1639)226723(41(48)49)36(47)40(22)1518h581113171820214245H910121416H214H3t17?1820+21?37?m1s1
ZINC001547211042
ZINC001547211045
Check stock
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