Vitas-M small molecule compound
ethyl (2Z)-2-{[1-(2-cyanobenzyl)-1H-indol-3-yl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK522635
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C/c1cn(c3c1cccc3)Cc1ccccc1C#N)/s2
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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 C34H28N4O4S MW 588.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H28N4O4S/c1-4-42-33(40)30-21(2)36-34-38(31(30)22-13-15-26(41-3)16-14-22)32(39)29(43-34)17-25-20-37(28-12-8-7-11-27(25)28)19-24-10-6-5-9-23(24)18-35/h5-17,20,31H,4,19H2,1-3H3/b29-17-InChIKey
BVXXMSPHVDSUSQ-RHANQZHGSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1cn(c3c1cccc3)Cc1ccccc1C#N)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC)C(=O)C(=CC4=CN(C5=CC=CC=C54)CC6=CC=CC=C6C#N)S2)C
ETHYL(2Z)2((1((2CYANOPHENYL)METHYL)INDOL3YL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)2((1(2cyanobenzyl)1Hindol3yl)methylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC34H28N4O4Sc144233(40)3021(2)363438(31(30)22131526(413)161422)32(39)29(4334)17252037(2812871127(25)28)19241065923(24)1835h5172031H419H213H3b2917
MFCD02109451
ZINC000100618680
ZINC000100618684
Check stock
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Check stock on Vitas-MAvailable files
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