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}-1H-indol-1-yl)acetic acid
Catalog ID
STL550033
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)Nc1cccc2c1ccn2CC(=O)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 C26H23ClN2O7 MW 510.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClN2O7/c1-13-9-14(28-16-5-4-6-17-15(16)7-8-29(17)12-21(31)32)10-20(30)26(13)25(33)22-18(34-2)11-19(35-3)23(27)24(22)36-26/h4-8,10-11,13,28H,9,12H2,1-3H3,(H,31,32)/t13-,26+/m1/s1InChIKey
MSWJOWPSNUIRDR-SRGMZFCMSA-NSynonyms
(4(((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)amino)1Hindol1yl)aceticacid
127253571
2(4(((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)amino)1Hindol1yl)aceticacid
2(4(((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)indol1yl)aceticacid
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)Nc1cccc2c1ccn2CC(=O)O)Cl
InChI=1SC26H23ClN2O7c113914(28165461715(16)7829(17)1221(31)32)1020(30)26(13)25(33)2218(342)1119(353)23(27)24(22)3626h4810111328H912H213H3(H3132)t1326+m1s1
ZINC000604404387
ZINC604404387
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