Vitas-M small molecule compound
benzyl (2E)-2-[4-(dimethylamino)benzylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK813406
SMILES O=C(C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C\c1ccc(cc1)N(C)C)/s2)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 C28H25N3O3S2 MW 515.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O3S2/c1-18-24(27(33)34-17-20-8-5-4-6-9-20)25(22-10-7-15-35-22)31-26(32)23(36-28(31)29-18)16-19-11-13-21(14-12-19)30(2)3/h4-16,25H,17H2,1-3H3/b23-16+InChIKey
VRBCNUJAPLWPFZ-XQNSMLJCSA-NSynonyms
617696-95-4617696954
benzyl(2E)2((4(dimethylamino)phenyl)methylidene)7methyl3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
benzyl(2E)2(4(dimethylamino)benzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
BENZYL2(4(DIMETHYLAMINO)BENZYLIDENE)7METHYL3OXO5(THIOPHEN2YL)35DIHYDRO2HTHIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)N(C)C)SC2=N1)C4=CC=CS4)C(=O)OCC5=CC=CC=C5
InChI=1SC28H25N3O3S2c11824(27(33)3417208546920)25(22107153522)3126(32)23(3628(31)2918)1619111321(141219)30(2)3h41625H17H213H3b2316+
MFCD04441539
O=C(C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1ccc(cc1)N(C)C)s2)OCc1ccccc1
ZINC000016730116
ZINC000016730118
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