Vitas-M small molecule compound
(10Z)-10-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-7-phenyl-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STK047451
SMILES Fc1ccc(cc1)n1c(C)cc(c1C)/C=c/1\sc2=NC3=C(C(n2c1=O)c1ccccc1)CCc1c3cccc1
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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 C33H26FN3OS MW 531.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H26FN3OS/c1-20-18-24(21(2)36(20)26-15-13-25(34)14-16-26)19-29-32(38)37-31(23-9-4-3-5-10-23)28-17-12-22-8-6-7-11-27(22)30(28)35-33(37)39-29/h3-11,13-16,18-19,31H,12,17H2,1-2H3/b29-19-InChIKey
WPJGVSXDQGJABQ-CEUNXORHSA-NSynonyms
401580-63-0(10Z)10((1(4FLUOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)7PHENYL57DIHYDRO6HBENZO(H)(13)THIAZOLO(23B)QUINAZOLIN9(10H)ONE
(Z)10((1(4fluorophenyl)25dimethyl1Hpyrrol3yl)methylene)7phenyl710dihydro5Hbenzo(h)thiazolo(23b)quinazolin9(6H)one
401580630
CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C=C3C(=O)N4C(C5=C(C6=CC=CC=C6CC5)N=C4S3)C7=CC=CC=C7
Fc1ccc(cc1)n1c(C)cc(c1C)C=c1sc2=NC3=C(C(n2c1=O)c1ccccc1)CCc1c3cccc1
InChI=1SC33H26FN3OSc1201824(21(2)36(20)26151325(34)141626)192932(38)3731(2394351023)281712228671127(22)30(28)3533(37)3929h3111316181931H1217H212H3b2919
MFCD03668232
STK047451
ZINC000100929879
ZINC000100929882
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.