Vitas-M small molecule compound
methyl (2E)-2-(4-tert-butylbenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798408
SMILES COC(=O)C1=C(C)N=c2n(C1c1cccs1)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 C24H24N2O3S2 MW 452.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N2O3S2/c1-14-19(22(28)29-5)20(17-7-6-12-30-17)26-21(27)18(31-23(26)25-14)13-15-8-10-16(11-9-15)24(2,3)4/h6-13,20H,1-5H3/b18-13+InChIKey
HWLOLKPCMKOUEZ-QGOAFFKASA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)C(C)(C)C)SC2=N1)C4=CC=CS4)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1ccc(cc1)C(C)(C)C)s2
InChI=1SC24H24N2O3S2c11419(22(28)295)20(1776123017)2621(27)18(3123(26)2514)131581016(11915)24(23)4h61320H15H3b1813+
methyl(2E)2((4tertbutylphenyl)methylidene)7methyl3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)2(4tertbutylbenzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD03418066
ZINC000026687646
ZINC000026687650
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