Vitas-M small molecule compound
(2Z)-3-benzyl-2-[(2E)-(4,5-dimethoxy-2-nitrobenzylidene)hydrazinylidene]-6-methyl-2,3-dihydro-1,3-benzothiazole
Catalog ID
STK179718
SMILES COc1cc(/C=N/N=c/2\sc3c(n2Cc2ccccc2)ccc(c3)C)c(cc1OC)[N+](=O)[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 C24H22N4O4S MW 462.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O4S/c1-16-9-10-19-23(11-16)33-24(27(19)15-17-7-5-4-6-8-17)26-25-14-18-12-21(31-2)22(32-3)13-20(18)28(29)30/h4-14H,15H2,1-3H3/b25-14+,26-24-InChIKey
XJGDMRZPGFHQOA-HLMATHERSA-NSynonyms
(2Z)3BENZYL2((2E)(45DIMETHOXY2NITROBENZYLIDENE)HYDRAZINYLIDENE)6METHYL23DIHYDRO13BENZOTHIAZOLE
(E)3benzylN((E)(45dimethoxy2nitrophenyl)methylideneamino)6methyl13benzothiazol2imine
CC1=CC2=C(C=C1)N(C(=NN=CC3=CC(=C(C=C3(N+)(=O)(O))OC)OC)S2)CC4=CC=CC=C4
COc1cc(C=NN=c2sc3c(n2Cc2ccccc2)ccc(c3)C)c(cc1OC)(N+)(=O)(O)
InChI=1SC24H22N4O4Sc1169101923(1116)3324(27(19)15177546817)262514181221(312)22(323)1320(18)28(29)30h414H15H213H3b2514+2624
MFCD01028504
ZINC000013939837
ZINC59831803
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