Vitas-M small molecule compound

ethyl (2E)-2-(4-tert-butylbenzylidene)-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK794280
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)/c(=C\c1ccc(cc1)C(C)(C)C)/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 C27H27ClN2O3S MW 495.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27ClN2O3S/c1-6-33-25(32)22-16(2)29-26-30(23(22)18-9-13-20(28)14-10-18)24(31)21(34-26)15-17-7-11-19(12-8-17)27(3,4)5/h7-15,23H,6H2,1-5H3/b21-15+
InChIKey
CNPOMSIAFKMQHT-RCCKNPSSSA-N
Synonyms
357433-16-0
(E)ethyl2(4(tertbutyl)benzylidene)5(4chlorophenyl)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
357433160
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)c(=Cc1ccc(cc1)C(C)(C)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Cl)C(=O)C(=CC4=CC=C(C=C4)C(C)(C)C)S2)C
ethyl(2E)2((4tertbutylphenyl)methylidene)5(4chlorophenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)2(4tertbutylbenzylidene)5(4chlorophenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL2((4TERTBUTYLPHENYL)METHYLIDENE)5(4CHLOROPHENYL)7METHYL3OXO2H3H5HPYRIMIDO(21B)(13)THIAZOLE6CARBOXYLATE
InChI=1SC27H27ClN2O3Sc163325(32)2216(2)292630(23(22)1891320(28)141018)24(31)21(3426)151771119(12817)27(34)5h71523H6H215H3b2115+
MFCD01163033
ZINC000009339715
ZINC000013775239

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Available files

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