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N-[2-(acetylamino)ethyl]-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]-3-[4-(methylsulfanyl)phenyl]propanamide

Catalog ID
STL551646
SMILES CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCNC(=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 C30H33ClN2O8S MW 617.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33ClN2O8S/c1-15-12-20(35)24(19(17-6-8-18(42-5)9-7-17)13-23(36)33-11-10-32-16(2)34)28(37)30(15)29(38)25-21(39-3)14-22(40-4)26(31)27(25)41-30/h6-9,14-15,19,37H,10-13H2,1-5H3,(H,32,34)(H,33,36)/t15-,19?,30+/m1/s1
InChIKey
LTLBPPLRBZYMFW-JPVPHDKMSA-N
Synonyms

~(N)(2acetamidoethyl)3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4methylsulfanylphenyl)propanamide
135640009
CSc1ccc(cc1)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCNC(=O)C
InChI=1SC30H33ClN2O8Sc1151220(35)24(19(176818(425)9717)1323(36)3311103216(2)34)28(37)30(15)29(38)2521(393)1422(404)26(31)27(25)4130h6914151937H1013H215H3(H3234)(H3336)t1519?30+m1s1
N(2(acetylamino)ethyl)3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4(methylsulfanyl)phenyl)propanamide
N(2acetamidoethyl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4(methylthio)phenyl)propanamide
ZINC001547139199
ZINC001547139200

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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