Vitas-M small molecule compound
(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 4-methylbenzenesulfonate
Catalog ID
STK992337
SMILES Cc1ccc(cc1)S(=O)(=O)Oc1ccc2c(c1)O/C(=C\c1cccs1)/C2=O
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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 C20H14O5S2 MW 398.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14O5S2/c1-13-4-7-16(8-5-13)27(22,23)25-14-6-9-17-18(11-14)24-19(20(17)21)12-15-3-2-10-26-15/h2-12H,1H3/b19-12-InChIKey
QLJSSMAZLSMWSZ-UNOMPAQXSA-NSynonyms
929412-13-5((2Z)3oxo2(thiophen2ylmethylidene)1benzofuran6yl)4methylbenzenesulfonate
(2Z)3oxo2(thiophen2ylmethylidene)23dihydro1benzofuran6yl4methylbenzenesulfonate
(Z)3oxo2(thiophen2ylmethylene)23dihydrobenzofuran6yl4methylbenzenesulfonate
3OXO2(2THIENYLMETHYLENE)BENZO(34B)FURAN6YL4METHYLBENZENESULFONATE
929412135
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC=CS4)O3
Cc1ccc(cc1)S(=O)(=O)Oc1ccc2c(c1)OC(=Cc1cccs1)C2=O
InChI=1SC20H14O5S2c1134716(8513)27(2223)2514691718(1114)2419(20(17)21)121532102615h212H1H3b1912
MFCD08750319
ZINC000009419326
ZINC09419326
ZINC9419326
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