Vitas-M small molecule compound
propan-2-yl (2Z)-7-methyl-3-oxo-2-[4-(pentyloxy)benzylidene]-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK797761
SMILES CCCCCOc1ccc(cc1)/C=c/1\sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OC(C)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 C27H30N2O4S2 MW 510.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O4S2/c1-5-6-7-14-32-20-12-10-19(11-13-20)16-22-25(30)29-24(21-9-8-15-34-21)23(26(31)33-17(2)3)18(4)28-27(29)35-22/h8-13,15-17,24H,5-7,14H2,1-4H3/b22-16-InChIKey
KRVSOOQBQHMCFN-JWGURIENSA-NSynonyms
CCCCCOC1=CC=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OC(C)C)C4=CC=CS4
CCCCCOc1ccc(cc1)C=c1sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OC(C)C)C
InChI=1SC27H30N2O4S2c1567143220121019(111320)162225(30)2924(2198153421)23(26(31)3317(2)3)18(4)2827(29)3522h813151724H5714H214H3b2216
MFCD03213245
PROPAN2YL(2Z)7METHYL3OXO2((4PENTOXYPHENYL)METHYLIDENE)5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
propan2yl(2Z)7methyl3oxo2(4(pentyloxy)benzylidene)5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000016699862
ZINC000016699864
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