Vitas-M small molecule compound

(3S)-N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-(methylsulfanyl)-1-oxobutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Catalog ID
STK585281
SMILES CSCC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)NC(=O)[C@H]1NCc2c(C1)cccc2

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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 C23H27N3O4S MW 441.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O4S/c1-31-11-8-18(22(27)25-17-6-7-20-21(13-17)30-10-9-29-20)26-23(28)19-12-15-4-2-3-5-16(15)14-24-19/h2-7,13,18-19,24H,8-12,14H2,1H3,(H,25,27)(H,26,28)/t18-,19-/m0/s1
InChIKey
GIWKVEVQMPZUBP-OALUTQOASA-N
Synonyms

(3S)N((2S)1(23dihydro14benzodioxin6ylamino)4(methylsulfanyl)1oxobutan2yl)1234tetrahydroisoquinoline3carboxamide
(3S)N((2S)1(23dihydro14benzodioxin6ylamino)4methylsulfanyl1oxobutan2yl)1234tetrahydroisoquinoline3carboxamide
(S)N((S)1((23dihydrobenzo(b)(14)dioxin6yl)amino)4(methylthio)1oxobutan2yl)1234tetrahydroisoquinoline3carboxamidehydrochloride
CSCC(C@@H)(C(=O)Nc1ccc2c(c1)OCCO2)NC(=O)(C@H)1NCc2c(C1)cccc2
CSCC(C@@H)(C(=O)Nc1ccc2c(c1)OCCO2)NC(=O)(C@H)1NCc2c(C1)cccc2Cl
CSCCC(C(=O)NC1=CC2=C(C=C1)OCCO2)NC(=O)C3CC4=CC=CC=C4CN3
InChI=1SC23H27N3O4Sc13111818(22(27)2517672021(1317)301092920)2623(28)191215423516(15)142419h2713181924H81214H21H3(H2527)(H2628)t1819m0s1
MFCD06772585
ZINC000035485576
ZINC35485576

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.