Vitas-M small molecule compound
(2Z)-2-[(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]hydrazinecarbothioamide (non-preferred name)
Catalog ID
STK780787
SMILES CCn1c(Cn2nnc(n2)c2ccc(cc2)C)nn(c1=S)[C@H]1C/C(=N/NC(=S)N)/[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 C20H24N10O2S2 MW 500.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N10O2S2/c1-3-28-16(9-29-26-17(23-27-29)12-6-4-11(2)5-7-12)25-30(20(28)34)14-8-13(22-24-19(21)33)18-31-10-15(14)32-18/h4-7,14-15,18H,3,8-10H2,1-2H3,(H3,21,24,33)/b22-13-/t14-,15+,18+/m0/s1InChIKey
XBXYAPSMELSIRP-PEKGJTLLSA-NSynonyms
((Z)((1S2S5R)2(4ethyl3((5(4methylphenyl)tetrazol2yl)methyl)5sulfanylidene124triazol1yl)68dioxabicyclo(321)octan4ylidene)amino)thiourea
(2Z)2((1S2S5R)2(4ethyl3((5(4methylphenyl)2Htetrazol2yl)methyl)5thioxo45dihydro1H124triazol1yl)68dioxabicyclo(321)oct4ylidene)hydrazinecarbothioamide(nonpreferredna
CCN1C(=NN(C1=S)C2CC(=NNC(=S)N)C3OCC2O3)CN4N=C(N=N4)C5=CC=C(C=C5)C
CCn1c(Cn2nnc(n2)c2ccc(cc2)C)nn(c1=S)(C@H)1CC(=NNC(=S)N)(C@H)2O(C@@H)1CO2
InChI=1SC20H24N10O2S2c132816(9292617(232729)126411(2)5712)2530(20(28)34)14813(222419(21)33)18311015(14)3218h47141518H3810H212H3(H3212433)b2213t1415+18+m0s1
MFCD13372222
ZINC000012413662
ZINC96602926
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