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-{3-methyl-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]pentan-2-yl}pr
Catalog ID
STL552467
SMILES CCC(C(C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(=O)CC(C1=C(O)C2(C(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc(c(c1)OC)O)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 C43H48ClN3O11 MW 818.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C43H48ClN3O11/c1-7-21(2)38(42(54)46-18-23-14-25(20-46)27-9-8-10-34(51)47(27)19-23)45-33(50)16-26(24-11-12-28(48)30(15-24)55-4)35-29(49)13-22(3)43(40(35)52)41(53)36-31(56-5)17-32(57-6)37(44)39(36)58-43/h8-12,15,17,21-23,25-26,38,48,52H,7,13-14,16,InChIKey
NJGLYXNVJFEDQT-JTRZKGNMSA-NSynonyms
135640700
3(7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4hydroxy3methoxyphenyl)~(N)(3methyl1oxo1((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)pentan2yl)propanamide
3(7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)N(3methyl1oxo1((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)pentan2yl)pr
CCC((C@@H)(C(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)NC(=O)CC(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc(c(c1)OC)O)C
InChI=1SC43H48ClN3O11c1721(2)38(42(54)4618231425(2046)27981034(51)47(27)1923)4533(50)1626(24111228(48)30(1524)554)3529(49)1322(3)43(40(35)52)41(53)3631(565)1732(576)37(44)39(36)5843h812151721232526384852H71314161820H216H3(H4550)t21?22?2325+26?38?43?m
ZINC000822645991
ZINC001547208787
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