Vitas-M small molecule compound
ethyl 2-[1-(4-butoxy-3-methoxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK818272
SMILES CCCCOc1ccc(cc1OC)C1N(c2sc(c(n2)C)C(=O)OCC)C(=O)c2c1c(=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 C29H28N2O7S MW 548.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O7S/c1-5-7-14-37-20-13-12-17(15-21(20)35-4)23-22-24(32)18-10-8-9-11-19(18)38-25(22)27(33)31(23)29-30-16(3)26(39-29)28(34)36-6-2/h8-13,15,23H,5-7,14H2,1-4H3InChIKey
AEOQRTCPNKGSCH-UHFFFAOYSA-NSynonyms
CCCCOC1=C(C=C(C=C1)C2C3=C(C(=O)N2C4=NC(=C(S4)C(=O)OCC)C)OC5=CC=CC=C5C3=O)OC
ETHYL2(1(4BUTOXY3METHOXYPHENYL)39DIOXO1HCHROMENO(23C)PYRROL2YL)4METHYL13THIAZOLE5CARBOXYLATE
ethyl2(1(4butoxy3methoxyphenyl)39dioxo39dihydrochromeno(23c)pyrrol2(1H)yl)4methyl13thiazole5carboxylate
InChI=1SC29H28N2O7Sc157143720131217(1521(20)354)232224(32)1810891119(18)3825(22)27(33)31(23)293016(3)26(3929)28(34)3662h8131523H5714H214H3
MFCD06289418
ZINC000003643449
ZINC000003643451
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