Vitas-M small molecule compound
(2E,9E)-2-(4-chlorobenzylidene)-9-(4-fluorobenzylidene)-5-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-3(2H)-one
Catalog ID
STL115184
SMILES Fc1ccc(cc1)C1C2=C(N=c3n1c(=O)/c(=C\c1ccc(cc1)Cl)/s3)/C(=C/c1ccc(cc1)F)/CCC2
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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 C30H21ClF2N2OS MW 531.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H21ClF2N2OS/c31-22-10-4-19(5-11-22)17-26-29(36)35-28(20-8-14-24(33)15-9-20)25-3-1-2-21(27(25)34-30(35)37-26)16-18-6-12-23(32)13-7-18/h4-17,28H,1-3H2/b21-16+,26-17+InChIKey
YCCTXIGTISONRR-ZDCPBAQHSA-NSynonyms
(2E9E)2((4chlorophenyl)methylidene)5(4fluorophenyl)9((4fluorophenyl)methylidene)5678tetrahydro(13)thiazolo(23b)quinazolin3one
(2E9E)2(4chlorobenzylidene)9(4fluorobenzylidene)5(4fluorophenyl)6789tetrahydro5H(13)thiazolo(23b)quinazolin3(2H)one
C1CC(=CC2=CC=C(C=C2)F)C3=C(C1)C(N4C(=O)C(=CC5=CC=C(C=C5)Cl)SC4=N3)C6=CC=C(C=C6)F
Fc1ccc(cc1)C1C2=C(N=c3n1c(=O)c(=Cc1ccc(cc1)Cl)s3)C(=Cc1ccc(cc1)F)CCC2
InChI=1SC30H21ClF2N2OSc312210419(51122)172629(36)3528(2081424(33)15920)2531221(27(25)3430(35)3726)161861223(32)13718h41728H13H2b2116+2617+
MFCD03177139
ZINC000096022380
ZINC000097970865
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