Vitas-M small molecule compound
8-[(3,4-dimethoxyphenyl)sulfonyl]-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline
Catalog ID
STK585720
SMILES COc1ccc(cc1OC)S(=O)(=O)N1CCc2c(C1)cc1c(c2)OCCCO1
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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 C20H23NO6S MW 405.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO6S/c1-24-17-5-4-16(12-18(17)25-2)28(22,23)21-7-6-14-10-19-20(11-15(14)13-21)27-9-3-8-26-19/h4-5,10-12H,3,6-9,13H2,1-2H3InChIKey
NGCOKPPAZUDNFX-UHFFFAOYSA-NSynonyms
883960-06-38((34dimethoxyphenyl)sulfonyl)3478910hexahydro2H(14)dioxepino(23g)isoquinoline
8(34dimethoxyphenyl)sulfonyl2347910hexahydro(14)dioxepino(23g)isoquinoline
883960063
COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC4=C(C=C3C2)OCCCO4)OC
InChI=1SC20H23NO6Sc124175416(1218(17)252)28(2223)217614101920(1115(14)1321)279382619h451012H36913H212H3
MFCD06785987
ZINC000005345823
ZINC05345823
ZINC5345823
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