Vitas-M small molecule compound
4-[(E)-{(2E)-[4-(2,4-dichlorophenyl)-1,3-thiazol-2(3H)-ylidene]hydrazinylidene}methyl]-2-methoxyphenyl 4-tert-butylbenzoate
Catalog ID
STK570444
SMILES COc1cc(/C=N/N=c\2/scc([nH]2)c2ccc(cc2Cl)Cl)ccc1OC(=O)c1ccc(cc1)C(C)(C)C
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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 C28H25Cl2N3O3S MW 554.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25Cl2N3O3S/c1-28(2,3)19-8-6-18(7-9-19)26(34)36-24-12-5-17(13-25(24)35-4)15-31-33-27-32-23(16-37-27)21-11-10-20(29)14-22(21)30/h5-16H,1-4H3,(H,32,33)/b31-15+InChIKey
CNCCQIDNTHILKS-IBBHUPRXSA-NSynonyms
(4((E)((4(24DICHLOROPHENYL)13THIAZOL2YL)HYDRAZINYLIDENE)METHYL)2METHOXYPHENYL)4TERTBUTYLBENZOATE
4((E)((2E)(4(24dichlorophenyl)13thiazol2(3H)ylidene)hydrazinylidene)methyl)2methoxyphenyl4tertbutylbenzoate
CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC3=NC(=CS3)C4=C(C=C(C=C4)Cl)Cl)OC
COc1cc(C=NN=c2scc((nH)2)c2ccc(cc2Cl)Cl)ccc1OC(=O)c1ccc(cc1)C(C)(C)C
InChI=1SC28H25Cl2N3O3Sc128(23)198618(7919)26(34)362412517(1325(24)354)153133273223(163727)21111020(29)1422(21)30h516H14H3(H3233)b3115+
MFCD05730889
ZINC000097967758
ZINC102562516
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