Vitas-M small molecule compound
ethyl (2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-oxo-7-phenyl-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL164226
SMILES CCOC(=O)C1=C(N=c2n(C1c1cccs1)c(=O)/c(=C/c1ccc3c(c1)OCCO3)/s2)c1ccccc1
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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 C28H22N2O5S2 MW 530.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N2O5S2/c1-2-33-27(32)23-24(18-7-4-3-5-8-18)29-28-30(25(23)21-9-6-14-36-21)26(31)22(37-28)16-17-10-11-19-20(15-17)35-13-12-34-19/h3-11,14-16,25H,2,12-13H2,1H3/b22-16-InChIKey
KVZGZTGPRGHDQC-JWGURIENSA-NSynonyms
CCOC(=O)C1=C(N=c2n(C1c1cccs1)c(=O)c(=Cc1ccc3c(c1)OCCO3)s2)c1ccccc1
CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)C(=CC4=CC5=C(C=C4)OCCO5)S2)C6=CC=CC=C6
ethyl(2Z)2(23dihydro14benzodioxin6ylmethylidene)3oxo7phenyl5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)2(23DIHYDRO14BENZODIOXIN6YLMETHYLIDENE)3OXO7PHENYL5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL2(23DIHYDRO14BENZODIOXIN6YLMETHYLENE)3OXO7PHENYL5(2THIENYL)23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC28H22N2O5S2c123327(32)2324(187435818)292830(25(23)2196143621)26(31)22(3728)161710111920(1517)3513123419h311141625H21213H21H3b2216
MFCD03083041
ZINC000000637324
ZINC000000637328
Check stock
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Check stock on Vitas-MAvailable files
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