Vitas-M small molecule compound

6-[({4-ethyl-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N,N-dimethyl-1,3,5-triazine-2,4-diamine

Catalog ID
STK780401
SMILES CCn1c(nnc1SCc1nc(N)nc(n1)N(C)C)Cn1nnc(n1)c1ccccc1

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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 C18H22N12S MW 438.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N12S/c1-4-29-14(10-30-26-15(24-27-30)12-8-6-5-7-9-12)23-25-18(29)31-11-13-20-16(19)22-17(21-13)28(2)3/h5-9H,4,10-11H2,1-3H3,(H2,19,20,21,22)
InChIKey
BXXOEQGOKQSEJI-UHFFFAOYSA-N
Synonyms

6(((4ethyl5((5phenyl2Htetrazol2yl)methyl)4H124triazol3yl)sulfanyl)methyl)NNdimethyl135triazine24diamine
6((4ETHYL5((5PHENYLTETRAZOL2YL)METHYL)124TRIAZOL3YL)SULFANYLMETHYL)2N2NDIMETHYL135TRIAZINE24DIAMINE
CCN1C(=NN=C1SCC2=NC(=NC(=N2)N(C)C)N)CN3N=C(N=N3)C4=CC=CC=C4
InChI=1SC18H22N12Sc142914(10302615(242730)128657912)232518(29)3111132016(19)2217(2113)28(2)3h59H41011H213H3(H219202122)
MFCD05860363
ZINC000012413697
ZINC12413697

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Available files

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