Vitas-M small molecule compound
(2R,3'Z,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-3'-[({4-[4-(methylsulfonyl)piperazin-1-yl]phenyl}amino)methylidene]-2'H,3H,4'H-spiro[1-benzofuran-2,1'-cyclohexane]-2',3,4'-trione
Catalog ID
STL550163
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)/C(=C/Nc2ccc(cc2)N2CCN(CC2)S(=O)(=O)C)/C1=O)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 C28H30ClN3O8S MW 604.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30ClN3O8S/c1-16-13-20(33)19(15-30-17-5-7-18(8-6-17)31-9-11-32(12-10-31)41(4,36)37)26(34)28(16)27(35)23-21(38-2)14-22(39-3)24(29)25(23)40-28/h5-8,14-16,30H,9-13H2,1-4H3/b19-15-/t16-,28+/m1/s1InChIKey
BQIJWEHUKMPMPD-CADMBTAPSA-NSynonyms
(1R6RZ)7chloro46dimethoxy6methyl3(((4(4(methylsulfonyl)piperazin1yl)phenyl)amino)methylene)3Hspiro(benzofuran21cyclohexane)234trione
(2R3Z6R)7chloro46dimethoxy6methyl3(((4(4(methylsulfonyl)piperazin1yl)phenyl)amino)methylidene)2H3H4Hspiro(1benzofuran21cyclohexane)234trione
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=O)C(=CNc2ccc(cc2)N2CCN(CC2)S(=O)(=O)C)C1=O)Cl
InChI=1SC28H30ClN3O8Sc1161320(33)19(1530175718(8617)3191132(121031)41(436)37)26(34)28(16)27(35)2321(382)1422(393)24(29)25(23)4028h58141630H913H214H3b1915t1628+m1s1
ZINC000824566713
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