Vitas-M small molecule compound
ethyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-5-(naphthalen-1-yl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK259017
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cccc3c1cccc3)c(=O)/c(=C/c1ccc3c(c1)OCO3)/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 C28H22N2O5S MW 498.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N2O5S/c1-3-33-27(32)24-16(2)29-28-30(25(24)20-10-6-8-18-7-4-5-9-19(18)20)26(31)23(36-28)14-17-11-12-21-22(13-17)35-15-34-21/h4-14,25H,3,15H2,1-2H3/b23-14-InChIKey
FHBJJFCRIGPXDI-UCQKPKSFSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1cccc3c1cccc3)c(=O)c(=Cc1ccc3c(c1)OCO3)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC4=CC=CC=C43)C(=O)C(=CC5=CC6=C(C=C5)OCO6)S2)C
ethyl(2Z)2(13benzodioxol5ylmethylidene)7methyl5(naphthalen1yl)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)2(13BENZODIOXOL5YLMETHYLIDENE)7METHYL5NAPHTHALEN1YL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC28H22N2O5Sc133327(32)2416(2)292830(25(24)20106818745919(18)20)26(31)23(3628)141711122122(1317)35153421h41425H315H212H3b2314
MFCD02623572
ZINC000003668778
ZINC000003668780
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