Vitas-M small molecule compound
methyl {4-bromo-2-[(Z)-{3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl]phenoxy}acetate
Catalog ID
STL380609
SMILES COC(=O)COc1ccc(cc1/C=C/1\SC(=O)N(C1=O)CC(=O)Nc1ccc2c(c1)OCCO2)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 C23H19BrN2O8S MW 563.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19BrN2O8S/c1-31-21(28)12-34-16-4-2-14(24)8-13(16)9-19-22(29)26(23(30)35-19)11-20(27)25-15-3-5-17-18(10-15)33-7-6-32-17/h2-5,8-10H,6-7,11-12H2,1H3,(H,25,27)/b19-9-InChIKey
HWFSQGOQYHFPKM-OCKHKDLRSA-NSynonyms
COC(=O)COC1=C(C=C(C=C1)Br)C=C2C(=O)N(C(=O)S2)CC(=O)NC3=CC4=C(C=C3)OCCO4
COC(=O)COc1ccc(cc1C=C1SC(=O)N(C1=O)CC(=O)Nc1ccc2c(c1)OCCO2)Br
InChI=1SC23H19BrN2O8Sc13121(28)1234164214(24)813(16)91922(29)26(23(30)3519)1120(27)2515351718(1015)33763217h25810H671112H21H3(H2527)b199
methyl(4bromo2((Z)(3(2(23dihydro14benzodioxin6ylamino)2oxoethyl)24dioxo13thiazolidin5ylidene)methyl)phenoxy)acetate
methyl2(4bromo2((Z)(3(2(23dihydro14benzodioxin6ylamino)2oxoethyl)24dioxo13thiazolidin5ylidene)methyl)phenoxy)acetate
MFCD28951088
ZINC000105981309
ZINC105981309
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