Vitas-M small molecule compound
ethyl 2-{3,9-dioxo-1-[3-(pentyloxy)phenyl]-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK818275
SMILES CCCCCOc1cccc(c1)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 C29H28N2O6S MW 532.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O6S/c1-4-6-9-15-36-19-12-10-11-18(16-19)23-22-24(32)20-13-7-8-14-21(20)37-25(22)27(33)31(23)29-30-17(3)26(38-29)28(34)35-5-2/h7-8,10-14,16,23H,4-6,9,15H2,1-3H3InChIKey
HZFADWVIBMMYQK-UHFFFAOYSA-NSynonyms
CCCCCOC1=CC=CC(=C1)C2C3=C(C(=O)N2C4=NC(=C(S4)C(=O)OCC)C)OC5=CC=CC=C5C3=O
ethyl2(39dioxo1(3(pentyloxy)phenyl)39dihydrochromeno(23c)pyrrol2(1H)yl)4methyl13thiazole5carboxylate
ETHYL2(39DIOXO1(3PENTOXYPHENYL)1HCHROMENO(23C)PYRROL2YL)4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC29H28N2O6Sc146915361912101118(1619)232224(32)2013781421(20)3725(22)27(33)31(23)293017(3)26(3829)28(34)3552h7810141623H46915H213H3
MFCD06289431
ZINC000003643493
ZINC000003643496
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