Vitas-M small molecule compound

3-[(2S,6'R)-7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl]-N-[2-(4-oxoquinazolin-3(4H)-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL561782
SMILES COc1cc(cc(c1OC)OC)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCn1cnc2c(c1=O)cccc2

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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 C38H38ClN3O11 MW 748.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H38ClN3O11/c1-19-13-24(43)30(35(45)38(19)36(46)31-25(48-2)17-26(49-3)32(39)34(31)53-38)22(20-14-27(50-4)33(52-6)28(15-20)51-5)16-29(44)40-11-12-42-18-41-23-10-8-7-9-21(23)37(42)47/h7-10,14-15,17-19,22,45H,11-13,16H2,1-6H3,(H,40,44)/t19-,22?,38
InChIKey
CEBKRTAORCFMCN-QMDPVMBASA-N
Synonyms

145705138
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(2(4oxoquinazolin3(4H)yl)ethyl)3(345trimethoxyphenyl)propanamide
3((2S4R)7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)N(2(4oxoquinazolin3yl)ethyl)3(345trimethoxyphenyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2(4oxoquinazolin3(4H)yl)ethyl)3(345trimethoxyphenyl)propanamide
COc1cc(cc(c1OC)OC)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCn1cnc2c(c1=O)cccc2
InChI=1SC38H38ClN3O11c1191324(43)30(35(45)38(19)36(46)3125(482)1726(493)32(39)34(31)5338)22(201427(504)33(526)28(1520)515)1629(44)401112421841231087921(23)37(42)47h710141517192245H111316H216H3(H4044)t1922?38+m1s1
MFCD32650847
ZINC001848442621
ZINC001848442622

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Available files

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