Vitas-M small molecule compound
methyl (2E)-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
STK797805
SMILES CCCCCOc1ccc(cc1)/C=c\1/sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OC)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 C25H26N2O4S2 MW 482.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O4S2/c1-4-5-6-13-31-18-11-9-17(10-12-18)15-20-23(28)27-22(19-8-7-14-32-19)21(24(29)30-3)16(2)26-25(27)33-20/h7-12,14-15,22H,4-6,13H2,1-3H3/b20-15+InChIKey
YFCSNBNGSQEPRC-HMMYKYKNSA-NSynonyms
CCCCCOC1=CC=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OC)C4=CC=CS4
CCCCCOc1ccc(cc1)C=c1sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OC)C
InChI=1SC25H26N2O4S2c145613311811917(101218)152023(28)2722(1987143219)21(24(29)303)16(2)2625(27)3320h712141522H4613H213H3b2015+
METHYL(2E)7METHYL3OXO2((4PENTOXYPHENYL)METHYLIDENE)5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
methyl(2E)7methyl3oxo2(4(pentyloxy)benzylidene)5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD03417172
ZINC000003258841
ZINC000003258845
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