Vitas-M small molecule compound
benzyl (2E)-5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK913367
SMILES COC(=O)c1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C\c1ccc(o1)C)/s2)C(=O)OCc1ccccc1
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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 C29H24N2O6S MW 528.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O6S/c1-17-9-14-22(37-17)15-23-26(32)31-25(20-10-12-21(13-11-20)27(33)35-3)24(18(2)30-29(31)38-23)28(34)36-16-19-7-5-4-6-8-19/h4-15,25H,16H2,1-3H3/b23-15+InChIKey
GPYIHKHEBVYKRF-HZHRSRAPSA-NSynonyms
benzyl(2E)5(4(methoxycarbonyl)phenyl)7methyl2((5methylfuran2yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
BENZYL(2E)5(4METHOXYCARBONYLPHENYL)7METHYL2((5METHYLFURAN2YL)METHYLIDENE)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
CC1=CC=C(O1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC4=CC=CC=C4)C5=CC=C(C=C5)C(=O)OC
COC(=O)c1ccc(cc1)C1C(=C(C)N=c2n1c(=O)c(=Cc1ccc(o1)C)s2)C(=O)OCc1ccccc1
InChI=1SC29H24N2O6Sc11791422(3717)152326(32)3125(20101221(131120)27(33)353)24(18(2)3029(31)3823)28(34)3616197546819h41525H16H213H3b2315+
MFCD07413103
ZINC000001467151
ZINC000001467153
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