Vitas-M small molecule compound
methyl 2-chloro-5-{5-[(Z)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]furan-2-yl}benzoate
Catalog ID
STK762132
SMILES COC(=O)c1cc(ccc1Cl)c1ccc(o1)/C=C/1\Sc2c(C1=O)cccc2
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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 C21H13ClO4S MW 396.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13ClO4S/c1-25-21(24)15-10-12(6-8-16(15)22)17-9-7-13(26-17)11-19-20(23)14-4-2-3-5-18(14)27-19/h2-11H,1H3/b19-11-InChIKey
RKZHFENLUOCLLN-ODLFYWEKSA-NSynonyms
COC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=C3C(=O)C4=CC=CC=C4S3)Cl
COC(=O)c1cc(ccc1Cl)c1ccc(o1)C=C1Sc2c(C1=O)cccc2
InChI=1SC21H13ClO4Sc12521(24)151012(6816(15)22)179713(2617)111920(23)14423518(14)2719h211H1H3b1911
METHYL2CHLORO5(5((3OXOBENZO(B)THIOPHEN2YLIDENE)METHYL)(2FURYL))BENZOATE
METHYL2CHLORO5(5((Z)(3OXO1BENZOTHIOPHEN2(3H)YLIDENE)METHYL)FURAN2YL)BENZOATE
METHYL2CHLORO5(5((Z)(3OXO1BENZOTHIOPHEN2YLIDENE)METHYL)FURAN2YL)BENZOATE
MFCD01158434
ZINC000012417750
ZINC12417750
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