Vitas-M small molecule compound
ethyl 2-{[(1E)-3-methoxy-3-oxoprop-1-en-1-yl]sulfanyl}imidazo[2,1-a]isoquinoline-3-carboxylate
Catalog ID
STL439612
SMILES CCOC(=O)c1c(S/C=C/C(=O)OC)nc2n1ccc1c2cccc1
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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 C18H16N2O4S MW 356.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O4S/c1-3-24-18(22)15-17(25-11-9-14(21)23-2)19-16-13-7-5-4-6-12(13)8-10-20(15)16/h4-11H,3H2,1-2H3/b11-9+InChIKey
ZEDUKUGRDROQGB-PKNBQFBNSA-NSynonyms
CCOC(=O)C1=C(N=C2N1C=CC3=CC=CC=C32)SC=CC(=O)OC
CCOC(=O)c1c(SC=CC(=O)OC)nc2n1ccc1c2cccc1
ethyl2(((1E)3methoxy3oxoprop1en1yl)sulfanyl)imidazo(21a)isoquinoline3carboxylate
ETHYL2((E)3METHOXY3OXOPROP1ENYL)SULFANYLIMIDAZO(21A)ISOQUINOLINE3CARBOXYLATE
InChI=1SC18H16N2O4Sc132418(22)1517(2511914(21)232)191613754612(13)81020(15)16h411H3H212H3b119+
MFCD30712084
ZINC000001414383
ZINC1414383
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