Vitas-M small molecule compound
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl thiophene-2-carboxylate
Catalog ID
STK888716
SMILES CCc1cc2c(cc1OC(=O)c1cccs1)oc(c(c2=O)c1ccc2c(c1)OCCCO2)C
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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 C26H22O6S MW 462.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22O6S/c1-3-16-12-18-21(14-20(16)32-26(28)23-6-4-11-33-23)31-15(2)24(25(18)27)17-7-8-19-22(13-17)30-10-5-9-29-19/h4,6-8,11-14H,3,5,9-10H2,1-2H3InChIKey
NYPGMGUMZKBVPE-UHFFFAOYSA-NSynonyms
610752-94-8(3(34DIHYDRO2H15BENZODIOXEPIN7YL)6ETHYL2METHYL4OXOCHROMEN7YL)THIOPHENE2CARBOXYLATE
3(2H3H4HBENZO(B)14DIOXEPAN7YL)6ETHYL2METHYL4OXOCHROMEN7YLTHIOPHENE2CARBOXYLATE
3(34DIHYDRO2H15BENZODIOXEPIN7YL)6ETHYL2METHYL4OXO4HCHROMEN7YL2THIOPHENECARBOXYLATE
3(34dihydro2H15benzodioxepin7yl)6ethyl2methyl4oxo4Hchromen7ylthiophene2carboxylate
3(34dihydro2Hbenzo(b)(14)dioxepin7yl)6ethyl2methyl4oxo4Hchromen7ylthiophene2carboxylate
610752948
CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCCO4)OC(=O)C5=CC=CS5
InChI=1SC26H22O6Sc1316121821(1420(16)3226(28)2364113323)3115(2)24(25(18)27)17781922(1317)3010592919h4681114H35910H212H3
MFCD03696035
ZINC000000728053
ZINC00728053
ZINC728053
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