Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-3-(7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl)-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}propana
Catalog ID
STL552371
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)c1ccc2c(c1)OCO2)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 C43H46ClN3O11 MW 816.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C43H46ClN3O11/c1-6-21(2)38(42(53)46-17-23-13-25(19-46)27-8-7-9-34(50)47(27)18-23)45-33(49)15-26(24-10-11-29-30(14-24)57-20-56-29)35-28(48)12-22(3)43(40(35)51)41(52)36-31(54-4)16-32(55-5)37(44)39(36)58-43/h7-11,14,16,21-23,25-26,38,51H,6,12-13,15,InChIKey
ZPGYRMGAMUNXHQ-JTRZKGNMSA-NSynonyms
135640617
3(13benzodioxol5yl)3(7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(3methyl1oxo1((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)pentan2yl)propanamide
3(13benzodioxol5yl)3(7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(3methyl1oxo1((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)pentan2yl)propana
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)c1ccc2c(c1)OCO2)C
InChI=1SC43H46ClN3O11c1621(2)38(42(53)4617231325(1946)2787934(50)47(27)1823)4533(49)1526(2410112930(1424)57205629)3528(48)1222(3)43(40(35)51)41(52)3631(544)1632(555)37(44)39(36)5843h7111416212325263851H61213151720H215H3(H4549)t21?22?2325+26?38?43?m1s
PYRIDO(12A)(15)DIAZOCIN3(4H)YL)PENTAN2YL)PROPANA
ZINC001547139065
ZINC001547206082
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