Vitas-M small molecule compound
ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-{[5-(piperidin-1-yl)furan-2-yl]methylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK804753
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)/c(=C/c1ccc(o1)N1CCCCC1)/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 C27H27N3O6S MW 521.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O6S/c1-3-33-26(32)23-16(2)28-27-30(24(23)17-7-9-19-20(13-17)35-15-34-19)25(31)21(37-27)14-18-8-10-22(36-18)29-11-5-4-6-12-29/h7-10,13-14,24H,3-6,11-12,15H2,1-2H3/b21-14-InChIKey
YRLGGQGBRXSHAV-STZFKDTASA-NSynonyms
(E)ethyl5(benzo(d)(13)dioxol5yl)7methyl3oxo2((5(piperidin1yl)furan2yl)methylene)35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)c(=Cc1ccc(o1)N1CCCCC1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)C(=CC5=CC=C(O5)N6CCCCC6)S2)C
ethyl(2Z)5(13benzodioxol5yl)7methyl3oxo2((5(piperidin1yl)furan2yl)methylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(13BENZODIOXOL5YL)7METHYL3OXO2((5PIPERIDIN1YLFURAN2YL)METHYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL5(13BENZODIOXOL5YL)7METHYL3OXO2((5(1PIPERIDINYL)2FURYL)METHYLENE)23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC27H27N3O6Sc133326(32)2316(2)282730(24(23)17791920(1317)35153419)25(31)21(3727)141881022(3618)29115461229h710131424H36111215H212H3b2114
MFCD01593357
ZINC000000680332
ZINC000000680334
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