Vitas-M small molecule compound
(2Z)-7-methyl-2-{[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene}-3-oxo-N-phenyl-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Catalog ID
STK047565
SMILES CN1CCN(CC1)c1ccc(o1)/C=c/1\sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)Nc1ccccc1)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 C28H27N5O3S2 MW 545.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O3S2/c1-18-24(26(34)30-19-7-4-3-5-8-19)25(21-9-6-16-37-21)33-27(35)22(38-28(33)29-18)17-20-10-11-23(36-20)32-14-12-31(2)13-15-32/h3-11,16-17,25H,12-15H2,1-2H3,(H,30,34)/b22-17-InChIKey
GTZRNRGODSMGES-XLNRJJMWSA-NSynonyms
(2Z)7METHYL2((5(4METHYLPIPERAZIN1YL)FURAN2YL)METHYLIDENE)3OXONPHENYL5(THIOPHEN2YL)23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXAMIDE
(2Z)7METHYL2((5(4METHYLPIPERAZIN1YL)FURAN2YL)METHYLIDENE)3OXONPHENYL5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXAMIDE
CC1=C(C(N2C(=O)C(=CC3=CC=C(O3)N4CCN(CC4)C)SC2=N1)C5=CC=CS5)C(=O)NC6=CC=CC=C6
CN1CCN(CC1)c1ccc(o1)C=c1sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)Nc1ccccc1)C
InChI=1SC28H27N5O3S2c11824(26(34)30197435819)25(2196163721)3327(35)22(3828(33)2918)1720101123(3620)32141231(2)131532h311161725H1215H212H3(H3034)b2217
MFCD08050941
STK047565
ZINC000097958629
ZINC000097958630
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