Vitas-M small molecule compound
2-methylpropyl (2Z)-5-[4-(acetyloxy)-3-methoxyphenyl]-7-methyl-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK799103
SMILES COc1cc(ccc1OC(=O)C)C1C(=C(C)N=c2n1c(=O)/c(=C/c1cccc(c1)[N+](=O)[O-])/s2)C(=O)OCC(C)C
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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 C28H27N3O8S MW 565.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O8S/c1-15(2)14-38-27(34)24-16(3)29-28-30(25(24)19-9-10-21(39-17(4)32)22(13-19)37-5)26(33)23(40-28)12-18-7-6-8-20(11-18)31(35)36/h6-13,15,25H,14H2,1-5H3/b23-12-InChIKey
QAQJSEUHTOVRES-FMCGGJTJSA-NSynonyms
2methylpropyl(2Z)5(4(acetyloxy)3methoxyphenyl)7methyl2(3nitrobenzylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
2METHYLPROPYL(2Z)5(4ACETYLOXY3METHOXYPHENYL)7METHYL2((3NITROPHENYL)METHYLIDENE)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
CC1=C(C(N2C(=O)C(=CC3=CC(=CC=C3)(N+)(=O)(O))SC2=N1)C4=CC(=C(C=C4)OC(=O)C)OC)C(=O)OCC(C)C
COc1cc(ccc1OC(=O)C)C1C(=C(C)N=c2n1c(=O)c(=Cc1cccc(c1)(N+)(=O)(O))s2)C(=O)OCC(C)C
InChI=1SC28H27N3O8Sc115(2)143827(34)2416(3)292830(25(24)1991021(3917(4)32)22(1319)375)26(33)23(4028)121876820(1118)31(35)36h6131525H14H215H3b2312
MFCD03462273
ZINC000002671812
ZINC000002671814
Check stock
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Check stock on Vitas-MAvailable files
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