Vitas-M small molecule compound

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

Catalog ID
STK602027
SMILES CC([C@H](C(=O)Nc1ccc2c(c1)OCCO2)NC(=O)[C@H]1NCc2c(C1)cccc2)C

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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 C23H27N3O4 MW 409.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O4/c1-14(2)21(23(28)25-17-7-8-19-20(12-17)30-10-9-29-19)26-22(27)18-11-15-5-3-4-6-16(15)13-24-18/h3-8,12,14,18,21,24H,9-11,13H2,1-2H3,(H,25,28)(H,26,27)/t18-,21+/m0/s1
InChIKey
RSFBDYKGWKPKKX-GHTZIAJQSA-N
Synonyms

(3S)N((2R)1(23dihydro14benzodioxin6ylamino)3methyl1oxobutan2yl)1234tetrahydroisoquinoline3carboxamide
(S)N((R)1((23dihydrobenzo(b)(14)dioxin6yl)amino)3methyl1oxobutan2yl)1234tetrahydroisoquinoline3carboxamidehydrochloride
CC((C@H)(C(=O)Nc1ccc2c(c1)OCCO2)NC(=O)(C@H)1NCc2c(C1)cccc2)C
CC((C@H)(C(=O)Nc1ccc2c(c1)OCCO2)NC(=O)(C@H)1NCc2c(C1)cccc2)CCl
CC(C)C(C(=O)NC1=CC2=C(C=C1)OCCO2)NC(=O)C3CC4=CC=CC=C4CN3
InChI=1SC23H27N3O4c114(2)21(23(28)2517781920(1217)301092919)2622(27)181115534616(15)132418h381214182124H91113H212H3(H2528)(H2627)t1821+m0s1
MFCD06771258
ZINC000035485552
ZINC35485552

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Available files

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