Vitas-M small molecule compound
ethyl (2Z)-2-{[1-(2-chlorobenzyl)-1H-indol-3-yl]methylidene}-5-(4-ethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK009968
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OCC)c(=O)/c(=C/c1cn(c3c1cccc3)Cc1ccccc1Cl)/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 C34H30ClN3O4S MW 612.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H30ClN3O4S/c1-4-41-25-16-14-22(15-17-25)31-30(33(40)42-5-2)21(3)36-34-38(31)32(39)29(43-34)18-24-20-37(28-13-9-7-11-26(24)28)19-23-10-6-8-12-27(23)35/h6-18,20,31H,4-5,19H2,1-3H3/b29-18-InChIKey
GRIJSFUCDIBERM-MIXAMLLLSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OCC)c(=O)c(=Cc1cn(c3c1cccc3)Cc1ccccc1Cl)s2
CCOC1=CC=C(C=C1)C2C(=C(N=C3N2C(=O)C(=CC4=CN(C5=CC=CC=C54)CC6=CC=CC=C6Cl)S3)C)C(=O)OCC
ETHYL(2Z)2((1((2CHLOROPHENYL)METHYL)INDOL3YL)METHYLIDENE)5(4ETHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)2((1(2CHLOROBENZYL)1HINDOL3YL)METHYLIDENE)5(4ETHOXYPHENYL)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL2((1((2CHLOROPHENYL)METHYL)INDOL3YL)METHYLENE)5(4ETHOXYPHENYL)7METHYL3OXO45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC34H30ClN3O4Sc144125161422(151725)3130(33(40)4252)21(3)363438(31)32(39)29(4334)18242037(2813971126(24)28)192310681227(23)35h6182031H4519H213H3b2918
MFCD03013848
STK009968
ZINC000008695567
ZINC000008695568
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