Vitas-M small molecule compound
ethyl 2-[3,9-dioxo-1-(3-phenoxyphenyl)-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK516466
SMILES CCOC(=O)c1sc(nc1C)N1C(=O)c2c(C1c1cccc(c1)Oc1ccccc1)c(=O)c1c(o2)cccc1
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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 C30H22N2O6S MW 538.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H22N2O6S/c1-3-36-29(35)27-17(2)31-30(39-27)32-24(18-10-9-13-20(16-18)37-19-11-5-4-6-12-19)23-25(33)21-14-7-8-15-22(21)38-26(23)28(32)34/h4-16,24H,3H2,1-2H3InChIKey
VHAJQCVBLDGPRI-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N=C(S1)N2C(C3=C(C2=O)OC4=CC=CC=C4C3=O)C5=CC(=CC=C5)OC6=CC=CC=C6)C
ETHYL2(39DIOXO1(3PHENOXYPHENYL)1HCHROMENO(23C)PYRROL2YL)4METHYL13THIAZOLE5CARBOXYLATE
ethyl2(39dioxo1(3phenoxyphenyl)39dihydrochromeno(23c)pyrrol2(1H)yl)4methyl13thiazole5carboxylate
InChI=1SC30H22N2O6Sc133629(35)2717(2)3130(3927)3224(181091320(1618)3719115461219)2325(33)2114781522(21)3826(23)28(32)34h41624H3H212H3
MFCD06289405
ZINC000098046657
ZINC000098046658
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