Vitas-M small molecule compound
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetamide
Catalog ID
STL360916
SMILES N#Cc1cc2CCCCCc2nc1SCC(=O)NCc1ccc2c(c1)OCO2
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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 C21H21N3O3S MW 395.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O3S/c22-10-16-9-15-4-2-1-3-5-17(15)24-21(16)28-12-20(25)23-11-14-6-7-18-19(8-14)27-13-26-18/h6-9H,1-5,11-13H2,(H,23,25)InChIKey
MNWUNHJPSPMVME-UHFFFAOYSA-NSynonyms
612048-95-0612048950
C1CCC2=C(CC1)N=C(C(=C2)C#N)SCC(=O)NCC3=CC4=C(C=C3)OCO4
InChI=1SC21H21N3O3Sc2210169154213517(15)2421(16)281220(25)231114671819(814)27132618h69H151113H2(H2325)
MFCD03666164
N(13benzodioxol5ylmethyl)2((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)sulfanyl)acetamide
N(benzo(d)(13)dioxol5ylmethyl)2((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)thio)acetamide
ZINC000000730208
ZINC00730208
ZINC730208
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