Vitas-M small molecule compound

benzyl (2E)-2-(2-chloro-6-fluorobenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK813417
SMILES O=C(C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C\c1c(F)cccc1Cl)/s2)OCc1ccccc1

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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 C26H18ClFN2O3S2 MW 525.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18ClFN2O3S2/c1-15-22(25(32)33-14-16-7-3-2-4-8-16)23(20-11-6-12-34-20)30-24(31)21(35-26(30)29-15)13-17-18(27)9-5-10-19(17)28/h2-13,23H,14H2,1H3/b21-13+
InChIKey
ZNXVBGOGDDKNRU-FYJGNVAPSA-N
Synonyms

benzyl(2E)2((2chloro6fluorophenyl)methylidene)7methyl3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
benzyl(2E)2(2chloro6fluorobenzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
BENZYL2(2CHLORO6FLUOROBENZYLIDENE)7METHYL3OXO5(THIOPHEN2YL)35DIHYDRO2HTHIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
CC1=C(C(N2C(=O)C(=CC3=C(C=CC=C3Cl)F)SC2=N1)C4=CC=CS4)C(=O)OCC5=CC=CC=C5
InChI=1SC26H18ClFN2O3S2c11522(25(32)3314167324816)23(20116123420)3024(31)21(3526(30)2915)131718(27)951019(17)28h21323H14H21H3b2113+
MFCD04441548
O=C(C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1c(F)cccc1Cl)s2)OCc1ccccc1
ZINC000100871414
ZINC000100871416

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Available files

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