Vitas-M small molecule compound
benzyl (2E)-7-methyl-3-oxo-2-(4-propoxybenzylidene)-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798990
SMILES CCCOc1ccc(cc1)/C=c\1/sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OCc1ccccc1)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 C29H26N2O4S2 MW 530.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O4S2/c1-3-15-34-22-13-11-20(12-14-22)17-24-27(32)31-26(23-10-7-16-36-23)25(19(2)30-29(31)37-24)28(33)35-18-21-8-5-4-6-9-21/h4-14,16-17,26H,3,15,18H2,1-2H3/b24-17+InChIKey
KLBGQQJVMKBCIK-JJIBRWJFSA-NSynonyms
BENZYL(2E)7METHYL3OXO2((4PROPOXYPHENYL)METHYLIDENE)5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
benzyl(2E)7methyl3oxo2(4propoxybenzylidene)5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
CCCOC1=CC=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC4=CC=CC=C4)C5=CC=CS5
CCCOc1ccc(cc1)C=c1sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OCc1ccccc1)C
InChI=1SC29H26N2O4S2c13153422131120(121422)172427(32)3126(23107163623)25(19(2)3029(31)3724)28(33)3518218546921h414161726H31518H212H3b2417+
MFCD03417967
ZINC000100839641
ZINC000100839644
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