Vitas-M small molecule compound

3-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

Catalog ID
STK207909
SMILES O=C(c1sc2c(c1N)cc1c(n2)CCCC1=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 C20H17N3O4S MW 395.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O4S/c21-17-12-7-11-13(2-1-3-14(11)24)23-20(12)28-18(17)19(25)22-8-10-4-5-15-16(6-10)27-9-26-15/h4-7H,1-3,8-9,21H2,(H,22,25)
InChIKey
KUCCNKSWFSRXMP-UHFFFAOYSA-N
Synonyms
840459-54-3
(3AMINO5OXO(678TRIHYDROTHIOPHENO(23B)QUINOLIN2YL))N(2HBENZO(34D)13DIOXOLAN5YLMETHYL)CARBOXAMIDE
3aminoN(13benzodioxol5ylmethyl)5oxo5678tetrahydrothieno(23b)quinoline2carboxamide
3AMINON(13BENZODIOXOL5YLMETHYL)5OXO78DIHYDRO6HTHIENO(23B)QUINOLINE2CARBOXAMIDE
3aminoN(benzo(d)(13)dioxol5ylmethyl)5oxo5678tetrahydrothieno(23b)quinoline2carboxamide
840459543
C1CC2=C(C=C3C(=C(SC3=N2)C(=O)NCC4=CC5=C(C=C4)OCO5)N)C(=O)C1
InChI=1SC20H17N3O4Sc21171271113(21314(11)24)2320(12)2818(17)19(25)22810451516(610)2792615h47H138921H2(H2225)
MFCD03694868
ZINC000002224854
ZINC02224854
ZINC2224854

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.