Vitas-M small molecule compound
ethyl 4-methyl-2-{1-[3-(3-methylbutoxy)phenyl]-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl}-1,3-thiazole-5-carboxylate
Catalog ID
STK818276
SMILES CCOC(=O)c1sc(nc1C)N1C(=O)c2c(C1c1cccc(c1)OCCC(C)C)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 C29H28N2O6S MW 532.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O6S/c1-5-35-28(34)26-17(4)30-29(38-26)31-23(18-9-8-10-19(15-18)36-14-13-16(2)3)22-24(32)20-11-6-7-12-21(20)37-25(22)27(31)33/h6-12,15-16,23H,5,13-14H2,1-4H3InChIKey
MIRINFGMIHEYQB-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N=C(S1)N2C(C3=C(C2=O)OC4=CC=CC=C4C3=O)C5=CC(=CC=C5)OCCC(C)C)C
ETHYL4METHYL2(1(3(3METHYLBUTOXY)PHENYL)39DIOXO1HCHROMENO(23C)PYRROL2YL)13THIAZOLE5CARBOXYLATE
ethyl4methyl2(1(3(3methylbutoxy)phenyl)39dioxo39dihydrochromeno(23c)pyrrol2(1H)yl)13thiazole5carboxylate
InChI=1SC29H28N2O6Sc153528(34)2617(4)3029(3826)3123(18981019(1518)36141316(2)3)2224(32)2011671221(20)3725(22)27(31)33h612151623H51314H214H3
MFCD06289432
ZINC000003643498
ZINC000003643501
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