Vitas-M small molecule compound
(2Z)-2-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)-N-hexylethanethioamide
Catalog ID
STL058069
SMILES CCCCCCNC(=S)/C=C/1\NCCc2c1cc1OCOc1c2
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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 C18H24N2O2S MW 332.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24N2O2S/c1-2-3-4-5-7-20-18(23)11-15-14-10-17-16(21-12-22-17)9-13(14)6-8-19-15/h9-11,19H,2-8,12H2,1H3,(H,20,23)/b15-11-InChIKey
NAAJUZVXSALALZ-PTNGSMBKSA-NSynonyms
898920-12-2(2Z)2(78DIHYDRO(13)DIOXOLO(45G)ISOQUINOLIN5(6H)YLIDENE)NHEXYLETHANETHIOAMIDE
(2Z)2(78dihydro6H(13)dioxolo(45g)isoquinolin5ylidene)Nhexylethanethioamide
(Z)2(78dihydro(13)dioxolo(45g)isoquinolin5(6H)ylidene)Nhexylethanethioamide
898920122
CCCCCCNC(=S)C=C1C2=CC3=C(C=C2CCN1)OCO3
CCCCCCNC(=S)C=C1NCCc2c1cc1OCOc1c2
InChI=1SC18H24N2O2Sc1234572018(23)111514101716(21122217)913(14)681915h91119H2812H21H3(H2023)b1511
MFCD07639020
ZINC000101373598
ZINC101373598
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