Vitas-M small molecule compound
(2E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one
Catalog ID
STL177359
SMILES Cc1ccc(s1)/C=C/C(=O)c1ccc2c(c1)OCCO2
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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 C16H14O3S MW 286.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14O3S/c1-11-2-4-13(20-11)5-6-14(17)12-3-7-15-16(10-12)19-9-8-18-15/h2-7,10H,8-9H2,1H3/b6-5+InChIKey
NDZFAGSMLIYXHT-AATRIKPKSA-NSynonyms
828278-02-0(2E)1(23dihydro14benzodioxin6yl)3(5methylthiophen2yl)prop2en1one
(E)1(23DIHYDRO14BENZODIOXIN6YL)3(5METHYLTHIOPHEN2YL)PROP2EN1ONE
828278020
CC1=CC=C(S1)C=CC(=O)C2=CC3=C(C=C2)OCCO3
Cc1ccc(s1)C=CC(=O)c1ccc2c(c1)OCCO2
InChI=1SC16H14O3Sc1112413(2011)5614(17)12371516(1012)19981815h2710H89H21H3b65+
MFCD04053495
ZINC000006788901
ZINC06788901
ZINC6788901
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