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-(methylsulfanyl)phenyl]-N-{2-oxo-2-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}propanamide
Catalog ID
STL552401
SMILES CSc1ccc(cc1)C(C1=C(O)C2(C(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCC(=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 C39H40ClN3O9S MW 762.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H40ClN3O9S/c1-20-12-27(44)33(37(48)39(20)38(49)34-28(50-2)15-29(51-3)35(40)36(34)52-39)25(22-8-10-24(53-4)11-9-22)14-30(45)41-16-32(47)42-17-21-13-23(19-42)26-6-5-7-31(46)43(26)18-21/h5-11,15,20-21,23,25,48H,12-14,16-19H2,1-4H3,(H,41,45)/t20?,InChIKey
CXAUIKFJWWWUOT-RLXMGYKZSA-NSynonyms
135640641
3(7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4methylsulfanylphenyl)~(N)(2oxo2((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)ethyl)propanamide
3(7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4(methylsulfanyl)phenyl)N(2oxo2((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)ethyl)propanamide
CSc1ccc(cc1)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC39H40ClN3O9Sc1201227(44)33(37(48)39(20)38(49)3428(502)1529(513)35(40)36(34)5239)25(2281024(534)11922)1430(45)411632(47)4217211323(1942)2665731(46)43(26)1821h511152021232548H12141619H214H3(H4145)t20?2123+25?39?m1s1
O(12A)(15)DIAZOCIN3(4H)YL)ETHYL)PROPANAMIDE
ZINC001547138245
ZINC001547205961
Check stock
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