Vitas-M small molecule compound
ethyl (2Z)-2-{[1-(2-fluorobenzyl)-1H-indol-3-yl]methylidene}-3-oxo-7-phenyl-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL440432
SMILES CCOC(=O)C1=C(N=c2n(C1c1cccs1)c(=O)/c(=C/c1cn(c3c1cccc3)Cc1ccccc1F)/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 C35H26FN3O3S2 MW 619.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H26FN3O3S2/c1-2-42-34(41)30-31(22-11-4-3-5-12-22)37-35-39(32(30)28-17-10-18-43-28)33(40)29(44-35)19-24-21-38(27-16-9-7-14-25(24)27)20-23-13-6-8-15-26(23)36/h3-19,21,32H,2,20H2,1H3/b29-19-InChIKey
VNVSQSIUXVCXIA-CEUNXORHSA-NSynonyms
CCOC(=O)C1=C(N=c2n(C1c1cccs1)c(=O)c(=Cc1cn(c3c1cccc3)Cc1ccccc1F)s2)c1ccccc1
CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)C(=CC4=CN(C5=CC=CC=C54)CC6=CC=CC=C6F)S2)C7=CC=CC=C7
ETHYL(2Z)2((1((2FLUOROPHENYL)METHYL)INDOL3YL)METHYLIDENE)3OXO7PHENYL5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)2((1(2fluorobenzyl)1Hindol3yl)methylidene)3oxo7phenyl5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC35H26FN3O3S2c124234(41)3031(22114351222)373539(32(30)281710184328)33(40)29(4435)19242138(2716971425(24)27)202313681526(23)36h3192132H220H21H3b2919
MFCD03200307
ZINC000008756516
ZINC000008776386
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