Vitas-M small molecule compound
methyl 4-(4-bromophenyl)-2-(7-methoxy-8-methyl-2-oxo-2H-chromen-4-yl)-4-oxobutanoate
Catalog ID
STK718088
SMILES COC(=O)C(c1cc(=O)oc2c1ccc(c2C)OC)CC(=O)c1ccc(cc1)Br
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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 C22H19BrO6 MW 459.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrO6/c1-12-19(27-2)9-8-15-16(11-20(25)29-21(12)15)17(22(26)28-3)10-18(24)13-4-6-14(23)7-5-13/h4-9,11,17H,10H2,1-3H3InChIKey
NGSHGQCDPYAVEC-UHFFFAOYSA-NSynonyms
951976-71-9951976719
CC1=C(C=CC2=C1OC(=O)C=C2C(CC(=O)C3=CC=C(C=C3)Br)C(=O)OC)OC
InChI=1SC22H19BrO6c11219(272)981516(1120(25)2921(12)15)17(22(26)283)1018(24)134614(23)7513h491117H10H213H3
methyl4(4bromophenyl)2(7methoxy8methyl2oxo2Hchromen4yl)4oxobutanoate
methyl4(4bromophenyl)2(7methoxy8methyl2oxochromen4yl)4oxobutanoate
MFCD09856641
ZINC000013727218
ZINC000013727221
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