Vitas-M small molecule compound

(3S)-6,7-dimethoxy-2-[(2S)-4-(methylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Catalog ID
STL578972
SMILES CSCC[C@H](N1Cc2c(C1=O)cccc2)C(=O)N1Cc2cc(OC)c(cc2C[C@H]1C(=O)N)OC

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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 C25H29N3O5S MW 483.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O5S/c1-32-21-11-16-10-20(23(26)29)28(14-17(16)12-22(21)33-2)25(31)19(8-9-34-3)27-13-15-6-4-5-7-18(15)24(27)30/h4-7,11-12,19-20H,8-10,13-14H2,1-3H3,(H2,26,29)/t19-,20-/m0/s1
InChIKey
GPZXQZHTLJHHQV-PMACEKPBSA-N
Synonyms

(3S)67dimethoxy2((2S)4(methylsulfanyl)2(1oxo13dihydro2Hisoindol2yl)butanoyl)1234tetrahydroisoquinoline3carboxamide
(S)67dimethoxy2((S)4(methylthio)2(1oxoisoindolin2yl)butanoyl)1234tetrahydroisoquinoline3carboxamide
CSCC(C@H)(N1Cc2c(C1=O)cccc2)C(=O)N1Cc2cc(OC)c(cc2C(C@H)1C(=O)N)OC
InChI=1SC25H29N3O5Sc1322111161020(23(26)29)28(1417(16)1222(21)332)25(31)19(89343)271315645718(15)24(27)30h4711121920H8101314H213H3(H22629)t1920m0s1
MFCD33397378

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Available files

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