Vitas-M small molecule compound
3-hydroxy-2-{[4-(tetrahydro-2H-pyran-4-yl)piperazin-1-yl]methyl}-6-[(1H-1,2,4-triazol-3-ylsulfanyl)methyl]-4H-pyran-4-one
Catalog ID
STL422194
SMILES O=c1cc(CSc2n[nH]cn2)oc(c1O)CN1CCN(CC1)C1CCOCC1
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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 C18H25N5O4S MW 407.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H25N5O4S/c24-15-9-14(11-28-18-19-12-20-21-18)27-16(17(15)25)10-22-3-5-23(6-4-22)13-1-7-26-8-2-13/h9,12-13,25H,1-8,10-11H2,(H,19,20,21)InChIKey
WNOJTYDDHJWZKY-UHFFFAOYSA-NSynonyms
3hydroxy2((4(oxan4yl)piperazin1yl)methyl)6(1H124triazol5ylsulfanylmethyl)pyran4one
3hydroxy2((4(tetrahydro2Hpyran4yl)piperazin1yl)methyl)6((1H124triazol3ylsulfanyl)methyl)4Hpyran4one
6(((4H124triazol3yl)thio)methyl)3hydroxy2((4(tetrahydro2Hpyran4yl)piperazin1yl)methyl)4Hpyran4one
C1COCCC1N2CCN(CC2)CC3=C(C(=O)C=C(O3)CSC4=NC=NN4)O
InChI=1SC18H25N5O4Sc2415914(1128181912202118)2716(17(15)25)10223523(6422)1317268213h9121325H181011H2(H192021)
MFCD30708007
O=c1cc(CSc2n(nH)cn2)oc(c1O)CN1CCN(CC1)C1CCOCC1
Oc1c(=O)cc(oc1CN1CCN(CC1)C1CCOCC1)CSc1(nH)cnn1
ZINC000252507516
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