Vitas-M small molecule compound
3-amino-N-(1,3-benzodioxol-5-ylmethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
Catalog ID
STK788820
SMILES O=C(c1sc2c(c1N)cc1c(n2)CCCCC1)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/c22-18-14-9-13-4-2-1-3-5-15(13)24-21(14)28-19(18)20(25)23-10-12-6-7-16-17(8-12)27-11-26-16/h6-9H,1-5,10-11,22H2,(H,23,25)InChIKey
HERROPNWWKRESW-UHFFFAOYSA-NSynonyms
612048-96-13aminoN(13benzodioxol5ylmethyl)6789tetrahydro5Hcyclohepta(b)thieno(32e)pyridine2carboxamide
3aminoN(benzo(d)(13)dioxol5ylmethyl)6789tetrahydro5Hcyclohepta(b)thieno(32e)pyridine2carboxamide
612048961
C1CCC2=C(CC1)N=C3C(=C2)C(=C(S3)C(=O)NCC4=CC5=C(C=C4)OCO5)N
InChI=1SC21H21N3O3Sc2218149134213515(13)2421(14)2819(18)20(25)231012671617(812)27112616h69H15101122H2(H2325)
MFCD03665719
ZINC000001471220
ZINC01471220
ZINC1471220
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