Vitas-M small molecule compound
4-[(E)-{2-[(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]-2-methoxyphenyl 4-methylbenzoate
Catalog ID
STK899206
SMILES COc1cc(/C=N/NC(=O)CSc2nc3c(s2)cccc3)ccc1OC(=O)c1ccc(cc1)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 C25H21N3O4S2 MW 491.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O4S2/c1-16-7-10-18(11-8-16)24(30)32-20-12-9-17(13-21(20)31-2)14-26-28-23(29)15-33-25-27-19-5-3-4-6-22(19)34-25/h3-14H,15H2,1-2H3,(H,28,29)/b26-14+InChIKey
XBBXMOOBMXLZMH-VULFUBBASA-NSynonyms
405904-02-1(4((E)((2(13BENZOTHIAZOL2YLSULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)2METHOXYPHENYL)4METHYLBENZOATE
4((E)(2((13benzothiazol2ylsulfanyl)acetyl)hydrazinylidene)methyl)2methoxyphenyl4methylbenzoate
405904021
CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=O)CSC3=NC4=CC=CC=C4S3)OC
COc1cc(C=NNC(=O)CSc2nc3c(s2)cccc3)ccc1OC(=O)c1ccc(cc1)C
InChI=1SC25H21N3O4S2c11671018(11816)24(30)322012917(1321(20)312)14262823(29)1533252719534622(19)3425h314H15H212H3(H2829)b2614+
MFCD02604978
ZINC000002078434
ZINC33347938
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