Vitas-M small molecule compound
propan-2-yl (2Z)-7-methyl-3-oxo-5-(thiophen-2-yl)-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK797896
SMILES COc1cc(cc(c1OC)OC)/C=c/1\sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OC(C)C)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 C25H26N2O6S2 MW 514.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O6S2/c1-13(2)33-24(29)20-14(3)26-25-27(21(20)18-8-7-9-34-18)23(28)19(35-25)12-15-10-16(30-4)22(32-6)17(11-15)31-5/h7-13,21H,1-6H3/b19-12-InChIKey
AGHUOVWNGCFLGM-UNOMPAQXSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CC(=C(C(=C3)OC)OC)OC)SC2=N1)C4=CC=CS4)C(=O)OC(C)C
COc1cc(cc(c1OC)OC)C=c1sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OC(C)C)C
InChI=1SC25H26N2O6S2c113(2)3324(29)2014(3)262527(21(20)188793418)23(28)19(3525)12151016(304)22(326)17(1115)315h71321H16H3b1912
MFCD03461802
propan2yl(2Z)7methyl3oxo5(thiophen2yl)2(345trimethoxybenzylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROPAN2YL(2Z)7METHYL3OXO5THIOPHEN2YL2((345TRIMETHOXYPHENYL)METHYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000000631438
ZINC000000631441
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