Vitas-M small molecule compound
(2E,9E)-9-(4-chlorobenzylidene)-5-(4-chlorophenyl)-2-(3-nitrobenzylidene)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-3(2H)-one
Catalog ID
STL115178
SMILES Clc1ccc(cc1)C1C2=C(N=c3n1c(=O)/c(=C\c1cccc(c1)[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/c31-22-11-7-18(8-12-22)15-21-4-2-6-25-27(21)33-30-34(28(25)20-9-13-23(32)14-10-20)29(36)26(39-30)17-19-3-1-5-24(16-19)35(37)38/h1,3,5,7-17,28H,2,4,6H2/b21-15+,26-17+InChIKey
ONWYJRIGTWYJEU-WTUKZMCFSA-NSynonyms
(2E9E)5(4chlorophenyl)9((4chlorophenyl)methylidene)2((3nitrophenyl)methylidene)5678tetrahydro(13)thiazolo(23b)quinazolin3one
(2E9E)9(4chlorobenzylidene)5(4chlorophenyl)2(3nitrobenzylidene)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(=Cc1cccc(c1)(N+)(=O)(O))s3)C(=Cc1ccc(cc1)Cl)CCC2
InChI=1SC30H21Cl2N3O3Sc312211718(81222)15214262527(21)333034(28(25)2091323(32)141020)29(36)26(3930)171931524(1619)35(37)38h13571728H246H2b2115+2617+
MFCD06326625
ZINC000096022479
ZINC000097984946
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