Vitas-M small molecule compound
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]amino}-N-(pyridin-3-yl)butanamide
Catalog ID
STL549471
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)NCCCC(=O)Nc1cccnc1)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 C25H26ClN3O6 MW 499.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26ClN3O6/c1-14-10-16(28-9-5-7-20(31)29-15-6-4-8-27-13-15)11-19(30)25(14)24(32)21-17(33-2)12-18(34-3)22(26)23(21)35-25/h4,6,8,11-14,28H,5,7,9-10H2,1-3H3,(H,29,31)/t14-,25+/m1/s1InChIKey
ZHLXVYOAGLZAKW-PWECECGKSA-NSynonyms
127253663
4(((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)amino)N(pyridin3yl)butanamide
4(((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)~(N)pyridin3ylbutanamide
4(((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)amino)N(pyridin3yl)butanamide
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)NCCCC(=O)Nc1cccnc1)Cl
InChI=1SC25H26ClN3O6c1141016(2895720(31)2915648271315)1119(30)25(14)24(32)2117(332)1218(343)22(26)23(21)3525h468111428H57910H213H3(H2931)t1425+m1s1
ZINC000604405334
ZINC604405334
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