Vitas-M small molecule compound
2-(7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]acetamide
Catalog ID
STK587709
SMILES O=C(CN1CCc2c(C1C)cc1c(c2)OCCCO1)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
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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 C25H31N3O5S MW 485.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O5S/c1-18-22-16-24-23(32-13-4-14-33-24)15-19(22)9-12-27(18)17-25(29)26-20-5-7-21(8-6-20)34(30,31)28-10-2-3-11-28/h5-8,15-16,18H,2-4,9-14,17H2,1H3,(H,26,29)InChIKey
UPSVRHXPJZODJX-UHFFFAOYSA-NSynonyms
883950-71-82(7methyl2347910hexahydro(14)dioxepino(23g)isoquinolin8yl)N(4pyrrolidin1ylsulfonylphenyl)acetamide
2(7methyl34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)yl)N(4(pyrrolidin1ylsulfonyl)phenyl)acetamide
883950718
CC1C2=CC3=C(C=C2CCN1CC(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCC5)OCCCO3
InChI=1SC25H31N3O5Sc11822162423(32134143324)1519(22)91227(18)1725(29)26205721(8620)34(3031)2810231128h58151618H2491417H21H3(H2629)
MFCD07640396
ZINC000009129545
ZINC000013591598
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