Vitas-M small molecule compound
(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 1,3-benzodioxole-5-carboxylate
Catalog ID
STK923845
SMILES O=C1/C(=C/c2cccs2)/Oc2c1ccc(c2)OC(=O)c1ccc2c(c1)OCO2
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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 C21H12O6S MW 392.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12O6S/c22-20-15-5-4-13(9-17(15)27-19(20)10-14-2-1-7-28-14)26-21(23)12-3-6-16-18(8-12)25-11-24-16/h1-10H,11H2/b19-10-InChIKey
GOHABBIDMZFPIX-GRSHGNNSSA-NSynonyms
847177-98-4((2Z)3OXO2(THIOPHEN2YLMETHYLIDENE)1BENZOFURAN6YL)13BENZODIOXOLE5CARBOXYLATE
(2Z)3oxo2(thiophen2ylmethylidene)23dihydro1benzofuran6yl13benzodioxole5carboxylate
(Z)3oxo2(thiophen2ylmethylene)23dihydrobenzofuran6ylbenzo(d)(13)dioxole5carboxylate
3OXO2(2THIENYLMETHYLENE)BENZO(34B)FURAN6YL2HBENZO(34D)13DIOXOLANE5CARBOXYLATE
847177984
C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC4=C(C=C3)C(=O)C(=CC5=CC=CS5)O4
InChI=1SC21H12O6Sc2220155413(917(15)2719(20)10142172814)2621(23)12361618(812)25112416h110H11H2b1910
MFCD04183888
O=C1C(=Cc2cccs2)Oc2c1ccc(c2)OC(=O)c1ccc2c(c1)OCO2
ZINC000002393267
ZINC02393267
ZINC2393267
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