Vitas-M small molecule compound
propan-2-yl (2Z)-2-(3-bromobenzylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK793946
SMILES COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C/c1cccc(c1)Br)/s2)C(=O)OC(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 C25H23BrN2O4S MW 527.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23BrN2O4S/c1-14(2)32-24(30)21-15(3)27-25-28(22(21)17-8-10-19(31-4)11-9-17)23(29)20(33-25)13-16-6-5-7-18(26)12-16/h5-14,22H,1-4H3/b20-13-InChIKey
LCZBRIHLIUQMHA-MOSHPQCFSA-NSynonyms
(Z)isopropyl2(3bromobenzylidene)5(4methoxyphenyl)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CC1=C(C(N2C(=O)C(=CC3=CC(=CC=C3)Br)SC2=N1)C4=CC=C(C=C4)OC)C(=O)OC(C)C
COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)c(=Cc1cccc(c1)Br)s2)C(=O)OC(C)C
InChI=1SC25H23BrN2O4Sc114(2)3224(30)2115(3)272528(22(21)1781019(314)11917)23(29)20(3325)131665718(26)1216h51422H14H3b2013
MFCD02994449
PROPAN2YL(2Z)2((3BROMOPHENYL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
propan2yl(2Z)2(3bromobenzylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000001828003
ZINC000001828005
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