Vitas-M small molecule compound
N~3~-[(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-4'-yl]-N-1,3-thiazol-2-yl-beta-alaninamide
Catalog ID
STL549846
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)NCCC(=O)Nc1nccs1)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 C22H22ClN3O6S MW 491.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN3O6S/c1-11-8-12(24-5-4-16(28)26-21-25-6-7-33-21)9-15(27)22(11)20(29)17-13(30-2)10-14(31-3)18(23)19(17)32-22/h6-7,9-11,24H,4-5,8H2,1-3H3,(H,25,26,28)/t11-,22+/m1/s1InChIKey
PKRNAEJALWEJTL-XFNZEKPQSA-NSynonyms
127253120
3(((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)amino)N(thiazol2yl)propanamide
3(((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)~(N)(13thiazol2yl)propanamide
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)NCCC(=O)Nc1nccs1)Cl
InChI=1SC22H22ClN3O6Sc111812(245416(28)262125673321)915(27)22(11)20(29)1713(302)1014(313)18(23)19(17)3222h6791124H458H213H3(H252628)t1122+m1s1
N~3~((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)N13thiazol2ylbetaalaninamide
N3((2S6R)7CHLORO46DIMETHOXY6METHYL23DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(3)EN)4YL)N13THIAZOL2YLBETAALANINAMIDE
ZINC000604405525
ZINC604405525
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