Vitas-M small molecule compound
ethyl (2Z)-2-{[1-(2-chlorobenzyl)-2-methyl-1H-indol-3-yl]methylidene}-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK054894
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C/c1c(C)n(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 C31H26ClN3O3S2 MW 588.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26ClN3O3S2/c1-4-38-30(37)27-18(2)33-31-35(28(27)25-14-9-15-39-25)29(36)26(40-31)16-22-19(3)34(24-13-8-6-11-21(22)24)17-20-10-5-7-12-23(20)32/h5-16,28H,4,17H2,1-3H3/b26-16-InChIKey
IUSRDDMKCGCZNZ-QQXSKIMKSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1c(C)n(c3c1cccc3)Cc1ccccc1Cl)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)C(=CC4=C(N(C5=CC=CC=C54)CC6=CC=CC=C6Cl)C)S2)C
ETHYL(2Z)2((1((2CHLOROPHENYL)METHYL)2METHYLINDOL3YL)METHYLIDENE)7METHYL3OXO5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)2((1(2CHLOROBENZYL)2METHYL1HINDOL3YL)METHYLIDENE)7METHYL3OXO5(THIOPHEN2YL)23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC31H26ClN3O3S2c143830(37)2718(2)333135(28(27)25149153925)29(36)26(4031)162219(3)34(2413861121(22)24)172010571223(20)32h51628H417H213H3b2616
MFCD03033826
STK054894
ZINC000097958722
ZINC000097958723
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.