Vitas-M small molecule compound
methyl (2Z)-2-{[1-(2-fluorobenzyl)-1H-indol-3-yl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK246637
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C/c1cn(c3c1cccc3)Cc1ccccc1F)/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 C31H24FN3O3S MW 537.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H24FN3O3S/c1-19-27(30(37)38-2)28(20-10-4-3-5-11-20)35-29(36)26(39-31(35)33-19)16-22-18-34(25-15-9-7-13-23(22)25)17-21-12-6-8-14-24(21)32/h3-16,18,28H,17H2,1-2H3/b26-16-InChIKey
OTLBUEFGXDOLTR-QQXSKIMKSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5F)SC2=N1)C6=CC=CC=C6)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1cn(c3c1cccc3)Cc1ccccc1F)s2
InChI=1SC31H24FN3O3Sc11927(30(37)382)28(20104351120)3529(36)26(3931(35)3319)16221834(2515971323(22)25)172112681424(21)32h3161828H17H212H3b2616
METHYL(2Z)2((1((2FLUOROPHENYL)METHYL)INDOL3YL)METHYLIDENE)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
METHYL(2Z)2((1(2FLUOROBENZYL)1HINDOL3YL)METHYLIDENE)7METHYL3OXO5PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD05825274
ZINC000097961849
ZINC000097961850
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.