Vitas-M small molecule compound

N-[5-({4-[(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-4'-yl]piperazin-1-yl}methyl)-1,3-thiazol-2-yl]acetamide

Catalog ID
STL551893
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)N1CCN(CC1)Cc1cnc(s1)NC(=O)C)Cl

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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 C26H29ClN4O6S MW 561.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29ClN4O6S/c1-14-9-16(31-7-5-30(6-8-31)13-17-12-28-25(38-17)29-15(2)32)10-20(33)26(14)24(34)21-18(35-3)11-19(36-4)22(27)23(21)37-26/h10-12,14H,5-9,13H2,1-4H3,(H,28,29,32)/t14-,26+/m1/s1
InChIKey
IUKNUEPQWPORAO-PTFIGZPYSA-N
Synonyms

~(N)(5((4((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)piperazin1yl)methyl)13thiazol2yl)acetamide
135640222
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)N1CCN(CC1)Cc1cnc(s1)NC(=O)C)Cl
InChI=1SC26H29ClN4O6Sc114916(317530(6831)1317122825(3817)2915(2)32)1020(33)26(14)24(34)2118(353)1119(364)22(27)23(21)3726h101214H5913H214H3(H282932)t1426+m1s1
N(5((4((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)piperazin1yl)methyl)thiazol2yl)acetamide
N(5((4((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)piperazin1yl)methyl)13thiazol2yl)acetamide
ZINC001547139150

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Available files

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