Vitas-M small molecule compound
(2E,9E)-9-(4-chlorobenzylidene)-5-(4-chlorophenyl)-2-(2-nitrobenzylidene)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-3(2H)-one
Catalog ID
STL115177
SMILES Clc1ccc(cc1)C1C2=C(N=c3n1c(=O)/c(=C\c1ccccc1[N+](=O)[O-])/s3)/C(=C/c1ccc(cc1)Cl)/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 C30H21Cl2N3O3S MW 574.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H21Cl2N3O3S/c31-22-12-8-18(9-13-22)16-21-5-3-6-24-27(21)33-30-34(28(24)19-10-14-23(32)15-11-19)29(36)26(39-30)17-20-4-1-2-7-25(20)35(37)38/h1-2,4,7-17,28H,3,5-6H2/b21-16+,26-17+InChIKey
BICZCMDTWUFBLU-ZDCPBAQHSA-NSynonyms
(2E9E)5(4chlorophenyl)9((4chlorophenyl)methylidene)2((2nitrophenyl)methylidene)5678tetrahydro(13)thiazolo(23b)quinazolin3one
(2E9E)9(4chlorobenzylidene)5(4chlorophenyl)2(2nitrobenzylidene)6789tetrahydro5H(13)thiazolo(23b)quinazolin3(2H)one
C1CC(=CC2=CC=C(C=C2)Cl)C3=C(C1)C(N4C(=O)C(=CC5=CC=CC=C5(N+)(=O)(O))SC4=N3)C6=CC=C(C=C6)Cl
Clc1ccc(cc1)C1C2=C(N=c3n1c(=O)c(=Cc1ccccc1(N+)(=O)(O))s3)C(=Cc1ccc(cc1)Cl)CCC2
InChI=1SC30H21Cl2N3O3Sc312212818(91322)16215362427(21)333034(28(24)19101423(32)151119)29(36)26(3930)1720412725(20)35(37)38h12471728H356H2b2116+2617+
MFCD03177132
ZINC000096022519
ZINC000097984877
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