Vitas-M small molecule compound
benzyl 5-(4-tert-butylphenyl)-2-ethyl-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK704057
SMILES CCC1SC2=NC(=C(C(N2C1=O)c1ccc(cc1)C(C)(C)C)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 C27H30N2O3S MW 462.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O3S/c1-6-21-24(30)29-23(19-12-14-20(15-13-19)27(3,4)5)22(17(2)28-26(29)33-21)25(31)32-16-18-10-8-7-9-11-18/h7-15,21,23H,6,16H2,1-5H3InChIKey
UNPAANWLFZRRLG-UHFFFAOYSA-NSynonyms
benzyl5(4tertbutylphenyl)2ethyl7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
BENZYL5(4TERTBUTYLPHENYL)2ETHYL7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
CCC1C(=O)N2C(C(=C(N=C2S1)C)C(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C
InChI=1SC27H30N2O3Sc162124(30)2923(19121420(151319)27(34)5)22(17(2)2826(29)3321)25(31)321618108791118h7152123H616H215H3
MFCD04519758
ZINC000003636800
ZINC000003636807
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