Vitas-M small molecule compound
ethyl (2E)-6'H-spiro[cyclohexane-1,7'-[1,3]dioxolo[4,5-g]isoquinolin]-5'(8'H)-ylideneethanoate
Catalog ID
STK765285
SMILES CCOC(=O)/C=C\1/NC2(CCCCC2)Cc2c1cc1OCOc1c2
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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 C19H23NO4 MW 329.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23NO4/c1-2-22-18(21)10-15-14-9-17-16(23-12-24-17)8-13(14)11-19(20-15)6-4-3-5-7-19/h8-10,20H,2-7,11-12H2,1H3/b15-10+InChIKey
XMCZTNDCQATIMD-XNTDXEJSSA-NSynonyms
CCOC(=O)C=C1C2=CC3=C(C=C2CC4(N1)CCCCC4)OCO3
CCOC(=O)C=C1NC2(CCCCC2)Cc2c1cc1OCOc1c2
ETHYL(2E)2SPIRO(68DIHYDRO(13)DIOXOLO(45G)ISOQUINOLINE71CYCLOHEXANE)5YLIDENEACETATE
ethyl(2E)6Hspiro(cyclohexane17(13)dioxolo(45g)isoquinolin)5(8H)ylideneethanoate
InChI=1SC19H23NO4c122218(21)10151491716(23122417)813(14)1119(2015)6435719h81020H271112H21H3b1510+
MFCD02933617
ZINC000100103733
ZINC100103733
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