Vitas-M small molecule compound
methyl 2-[1-(4-tert-butylphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK818381
SMILES COC(=O)c1sc(nc1C)N1C(=O)c2c(C1c1ccc(cc1)C(C)(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 C27H24N2O5S MW 488.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O5S/c1-14-23(25(32)33-5)35-26(28-14)29-20(15-10-12-16(13-11-15)27(2,3)4)19-21(30)17-8-6-7-9-18(17)34-22(19)24(29)31/h6-13,20H,1-5H3InChIKey
PMFMYDVBXPKZRU-UHFFFAOYSA-NSynonyms
CC1=C(SC(=N1)N2C(C3=C(C2=O)OC4=CC=CC=C4C3=O)C5=CC=C(C=C5)C(C)(C)C)C(=O)OC
InChI=1SC27H24N2O5Sc11423(25(32)335)3526(2814)2920(15101216(131115)27(23)4)1921(30)17867918(17)3422(19)24(29)31h61320H15H3
METHYL2(1(4TERTBUTYLPHENYL)39DIOXO1HCHROMENO(23C)PYRROL2YL)4METHYL13THIAZOLE5CARBOXYLATE
methyl2(1(4tertbutylphenyl)39dioxo39dihydrochromeno(23c)pyrrol2(1H)yl)4methyl13thiazole5carboxylate
MFCD04447849
ZINC000002704222
ZINC000002704224
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