Vitas-M small molecule compound
(2E,5Z)-2-{3-[(3-bromophenyl)amino]-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene}-5-(5-chloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-3-(prop-2-en-1-yl)-1,3-thiazolidin-4-one
Catalog ID
STK368232
SMILES C=CCn1/c(=C\2/C(=NN(C2=O)c2ccccc2)Nc2cccc(c2)Br)/s/c(=c/2\sc3c(n2C)cc(cc3)Cl)/c1=O
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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 C29H21BrClN5O2S2 MW 651.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21BrClN5O2S2/c1-3-14-35-27(38)24(29-34(2)21-16-18(31)12-13-22(21)39-29)40-28(35)23-25(32-19-9-7-8-17(30)15-19)33-36(26(23)37)20-10-5-4-6-11-20/h3-13,15-16H,1,14H2,2H3,(H,32,33)/b28-23+,29-24-InChIKey
CDYBKPWGQGGKCB-ABHBNJMISA-NSynonyms
(2E5Z)2(3((3bromophenyl)amino)5oxo1phenyl15dihydro4Hpyrazol4ylidene)5(5chloro3methyl13benzothiazol2(3H)ylidene)3(prop2en1yl)13thiazolidin4one
(2E5Z)2(3(3BROMOANILINO)5OXO1PHENYLPYRAZOL4YLIDENE)5(5CHLORO3METHYL13BENZOTHIAZOL2YLIDENE)3PROP2ENYL13THIAZOLIDIN4ONE
2(3((3BROMOPHENYL)AMINO)5OXO1PHENYL(12DIAZOLIN4YLIDENE))5(5CHLORO3METHYL(3HYDROBENZOTHIAZOL2YLIDENE))3PROP2ENYL13THIAZOLIDIN4ONE
C=CCn1c(=C2C(=NN(C2=O)c2ccccc2)Nc2cccc(c2)Br)sc(=c2sc3c(n2C)cc(cc3)Cl)c1=O
CN1C2=C(C=CC(=C2)Cl)SC1=C3C(=O)N(C(=C4C(=NN(C4=O)C5=CC=CC=C5)NC6=CC(=CC=C6)Br)S3)CC=C
InChI=1SC29H21BrClN5O2S2c13143527(38)24(2934(2)211618(31)121322(21)3929)4028(35)2325(321997817(30)1519)3336(26(23)37)20105461120h3131516H114H22H3(H3233)b2823+2924
MFCD00748370
ZINC000150391419
ZINC150391419
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