Vitas-M small molecule compound
2-methylpropyl (2Z)-5-[4-(acetyloxy)-3-ethoxyphenyl]-7-methyl-2-(4-nitrobenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK810102
SMILES CCOc1cc(ccc1OC(=O)C)C1C(=C(C)N=c2n1c(=O)/c(=C/c1ccc(cc1)[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 C29H29N3O8S MW 579.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O8S/c1-6-38-23-14-20(9-12-22(23)40-18(5)33)26-25(28(35)39-15-16(2)3)17(4)30-29-31(26)27(34)24(41-29)13-19-7-10-21(11-8-19)32(36)37/h7-14,16,26H,6,15H2,1-5H3/b24-13-InChIKey
GBVGLZHKVXBTFB-CFRMEGHHSA-NSynonyms
2methylpropyl(2Z)5(4(acetyloxy)3ethoxyphenyl)7methyl2(4nitrobenzylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
2METHYLPROPYL(2Z)5(4ACETYLOXY3ETHOXYPHENYL)7METHYL2((4NITROPHENYL)METHYLIDENE)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
CCOC1=C(C=CC(=C1)C2C(=C(N=C3N2C(=O)C(=CC4=CC=C(C=C4)(N+)(=O)(O))S3)C)C(=O)OCC(C)C)OC(=O)C
CCOc1cc(ccc1OC(=O)C)C1C(=C(C)N=c2n1c(=O)c(=Cc1ccc(cc1)(N+)(=O)(O))s2)C(=O)OCC(C)C
InChI=1SC29H29N3O8Sc1638231420(91222(23)4018(5)33)2625(28(35)391516(2)3)17(4)302931(26)27(34)24(4129)131971021(11819)32(36)37h7141626H615H215H3b2413
MFCD03462472
ZINC000002672234
ZINC000002672236
Check stock
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Check stock on Vitas-MAvailable files
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