Vitas-M small molecule compound
ethyl (2E)-2-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK676177
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1cc(n(c1C)c1ccc(cc1)Br)C)/s2
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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 C29H26BrN3O3S MW 576.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26BrN3O3S/c1-5-36-28(35)25-18(3)31-29-33(26(25)20-9-7-6-8-10-20)27(34)24(37-29)16-21-15-17(2)32(19(21)4)23-13-11-22(30)12-14-23/h6-16,26H,5H2,1-4H3/b24-16+InChIKey
GRPZVFHUOKACQP-LFVJCYFKSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1cc(n(c1C)c1ccc(cc1)Br)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(=CC4=C(N(C(=C4)C)C5=CC=C(C=C5)Br)C)S2)C
ethyl(2E)2((1(4bromophenyl)25dimethyl1Hpyrrol3yl)methylidene)7methyl3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)2((1(4BROMOPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC29H26BrN3O3Sc153628(35)2518(3)312933(26(25)2097681020)27(34)24(3729)16211517(2)32(19(21)4)23131122(30)121423h61626H5H214H3b2416+
MFCD01872615
ZINC000100087046
ZINC000100087048
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