Vitas-M small molecule compound
benzyl (2E)-2-[4-(benzyloxy)benzylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798986
SMILES O=C(C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C\c1ccc(cc1)OCc1ccccc1)/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 C33H26N2O4S2 MW 578.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H26N2O4S2/c1-22-29(32(37)39-21-25-11-6-3-7-12-25)30(27-13-8-18-40-27)35-31(36)28(41-33(35)34-22)19-23-14-16-26(17-15-23)38-20-24-9-4-2-5-10-24/h2-19,30H,20-21H2,1H3/b28-19+InChIKey
RKQLAXABNWWRDO-TURZUDJPSA-NSynonyms
benzyl(2E)2(4(benzyloxy)benzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
benzyl(2E)7methyl3oxo2((4phenylmethoxyphenyl)methylidene)5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)OCC4=CC=CC=C4)SC2=N1)C5=CC=CS5)C(=O)OCC6=CC=CC=C6
InChI=1SC33H26N2O4S2c12229(32(37)392125116371225)30(27138184027)3531(36)28(4133(35)3422)1923141626(171523)38202494251024h21930H2021H21H3b2819+
MFCD03417964
O=C(C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1ccc(cc1)OCc1ccccc1)s2)OCc1ccccc1
ZINC000100839635
ZINC000100839637
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