Vitas-M small molecule compound
(2Z)-2-{(2Z)-[(1S,2S,5R)-2-(4-ethyl-3-{[5-(4-methylphenyl)-2H-tetrazol-2-yl]methyl}-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]oct-4-ylidene]hydrazinylidene}-1,3-thiazolidin-4-one (non-preferred name)
Catalog ID
STK686597
SMILES CCn1c(Cn2nnc(n2)c2ccc(cc2)C)nn(c1=S)[C@H]1C/C(=N/N=C/2\SCC(=O)N2)/[C@H]2O[C@@H]1CO2
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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 C22H24N10O3S2 MW 540.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N10O3S2/c1-3-30-17(9-31-28-19(25-29-31)13-6-4-12(2)5-7-13)27-32(22(30)36)15-8-14(20-34-10-16(15)35-20)24-26-21-23-18(33)11-37-21/h4-7,15-16,20H,3,8-11H2,1-2H3,(H,23,26,33)/b24-14-/t15-,16+,20+/m0/s1InChIKey
WMTPKHIYDAYFSU-RBAIIMRGSA-NSynonyms
(2Z)2((2Z)((1S2S5R)2(4ethyl3((5(4methylphenyl)2Htetrazol2yl)methyl)5thioxo45dihydro1H124triazol1yl)68dioxabicyclo(321)oct4ylidene)hydrazinylidene)13thiazolidin4
2((2Z)2((1S2S5R)2(4ethyl3((5(4methylphenyl)tetrazol2yl)methyl)5sulfanylidene124triazol1yl)68dioxabicyclo(321)octan4ylidene)hydrazinyl)13thiazol4one
CCN1C(=NN(C1=S)C2CC(=NNC3=NC(=O)CS3)C4OCC2O4)CN5N=C(N=N5)C6=CC=C(C=C6)C
CCn1c(Cn2nnc(n2)c2ccc(cc2)C)nn(c1=S)(C@H)1CC(=NN=C2SCC(=O)N2)(C@H)2O(C@@H)1CO2
InChI=1SC22H24N10O3S2c133017(9312819(252931)136412(2)5713)2732(22(30)36)15814(20341016(15)3520)2426212318(33)113721h47151620H3811H212H3(H232633)b2414t1516+20+m0s1
MFCD18246940
ZINC000100197480
ZINC102781628
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