Vitas-M small molecule compound
N-(3,4-dimethoxybenzyl)-3-[(2-hydroxy-4,5-dihydro-3H-1-benzazepin-3-yl)sulfanyl]propanamide
Catalog ID
STK639593
SMILES COc1cc(CNC(=O)CCSC2CCc3c(N=C2O)cccc3)ccc1OC
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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 C22H26N2O4S MW 414.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O4S/c1-27-18-9-7-15(13-19(18)28-2)14-23-21(25)11-12-29-20-10-8-16-5-3-4-6-17(16)24-22(20)26/h3-7,9,13,20H,8,10-12,14H2,1-2H3,(H,23,25)(H,24,26)InChIKey
JVTNNHMPXYVFSO-UHFFFAOYSA-NSynonyms
1010887-71-41010887714
COC1=C(C=C(C=C1)CNC(=O)CCSC2CCC3=CC=CC=C3NC2=O)OC
InChI=1SC22H26N2O4Sc127189715(1319(18)282)142321(25)1112292010816534617(16)2422(20)26h3791320H8101214H212H3(H2325)(H2426)
MFCD18162048
N((34dimethoxyphenyl)methyl)3((2oxo1345tetrahydro1benzazepin3yl)sulfanyl)propanamide
N(34dimethoxybenzyl)3((2hydroxy45dihydro3H1benzazepin3yl)sulfanyl)propanamide
ZINC000012409082
ZINC000012409086
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