Vitas-M small molecule compound
methyl (2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL372403
SMILES COC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C/c1c(OC)ccc3c1cccc3)/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 C25H20N2O4S2 MW 476.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O4S2/c1-14-21(24(29)31-3)22(19-9-6-12-32-19)27-23(28)20(33-25(27)26-14)13-17-16-8-5-4-7-15(16)10-11-18(17)30-2/h4-13,22H,1-3H3/b20-13-InChIKey
DUBSTNOFSRTWGP-MOSHPQCFSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=C(C=CC4=CC=CC=C43)OC)SC2=N1)C5=CC=CS5)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1c(OC)ccc3c1cccc3)s2
InChI=1SC25H20N2O4S2c11421(24(29)313)22(1996123219)2723(28)20(3325(27)2614)131716854715(16)101118(17)302h41322H13H3b2013
methyl(2Z)2((2methoxynaphthalen1yl)methylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2Z)2((2methoxynaphthalen1yl)methylidene)7methyl3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD03216394
ZINC000098086658
ZINC000098086659
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