Vitas-M small molecule compound
3-(7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl)-3-(4-hydroxy-3-methoxyphenyl)-N-{6-oxo-6-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]hexyl}propanamide
Catalog ID
STL552294
SMILES COc1cc(ccc1O)C(C1=C(O)C2(C(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCCCCC(=O)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 C43H48ClN3O11 MW 818.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C43H48ClN3O11/c1-23-15-30(49)37(41(53)43(23)42(54)38-32(56-3)19-33(57-4)39(44)40(38)58-43)27(25-12-13-29(48)31(17-25)55-2)18-34(50)45-14-7-5-6-10-35(51)46-20-24-16-26(22-46)28-9-8-11-36(52)47(28)21-24/h8-9,11-13,17,19,23-24,26-27,48,53H,5-7,10,14InChIKey
HPUWDXSDBPXFNY-OPBPMSEXSA-NSynonyms
135640552
3(7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4hydroxy3methoxyphenyl)~(N)(6oxo6((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)hexyl)propanamide
3(7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)N(6oxo6((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)hexyl)propanamide
COc1cc(ccc1O)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCCCCC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
DO(12A)(15)DIAZOCIN3(4H)YL)HEXYL)PROPANAMIDE
InChI=1SC43H48ClN3O11c1231530(49)37(41(53)43(23)42(54)3832(563)1933(574)39(44)40(38)5843)27(25121329(48)31(1725)552)1834(50)45147561035(51)4620241626(2246)28981136(52)47(28)2124h8911131719232426274853H57101416182022H214H3(H4550)t23?2426+27?43?m1s1
ZINC001547138886
ZINC001547208777
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