Vitas-M small molecule compound

1-(heptylsulfanyl)-4-(4-methoxyphenyl)-7,8,9,10-tetrahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

Catalog ID
STK525745
SMILES CCCCCCCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)OC)CCCCC3

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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 C26H32N4O2S2 MW 496.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N4O2S2/c1-3-4-5-6-10-17-33-26-28-27-25-29(18-13-15-19(32-2)16-14-18)23(31)22-20-11-8-7-9-12-21(20)34-24(22)30(25)26/h13-16H,3-12,17H2,1-2H3
InChIKey
ALFUKDWLERVPPJ-UHFFFAOYSA-N
Synonyms

1(heptylsulfanyl)4(4methoxyphenyl)78910tetrahydro6Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1(heptylthio)4(4methoxyphenyl)78910tetrahydro4Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(6H)one
CCCCCCCSC1=NN=C2N1C3=C(C4=C(S3)CCCCC4)C(=O)N2C5=CC=C(C=C5)OC
InChI=1SC26H32N4O2S2c134561017332628272529(18131519(322)161418)23(31)2220118791221(20)3424(22)30(25)26h1316H31217H212H3
MFCD01959984
ZINC000002289387
ZINC2289387

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Available files

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