Vitas-M small molecule compound
(1S,2S,5R)-2-[4-phenyl-3-(phenylamino)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)
Catalog ID
STK768411
SMILES O=C1C[C@@H]([C@@H]2O[C@H]1OC2)n1nc(n(c1=S)c1ccccc1)Nc1ccccc1
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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 C20H18N4O3S MW 394.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O3S/c25-16-11-15(17-12-26-18(16)27-17)24-20(28)23(14-9-5-2-6-10-14)19(22-24)21-13-7-3-1-4-8-13/h1-10,15,17-18H,11-12H2,(H,21,22)/t15-,17+,18+/m0/s1InChIKey
VETSUJWTOQSCMW-CGTJXYLNSA-NSynonyms
(1S2S5R)2(3anilino4phenyl5sulfanylidene124triazol1yl)68dioxabicyclo(321)octan4one
(1S2S5R)2(4phenyl3(phenylamino)5thioxo45dihydro1H124triazol1yl)68dioxabicyclo(321)octan4one(nonpreferredname)
C1C(C2COC(C1=O)O2)N3C(=S)N(C(=N3)NC4=CC=CC=C4)C5=CC=CC=C5
InChI=1SC20H18N4O3Sc25161115(17122618(16)2717)2420(28)23(1495261014)19(2224)21137314813h110151718H1112H2(H2122)t1517+18+m0s1
MFCD13372141
O=C1C(C@@H)((C@@H)2O(C@H)1OC2)n1nc(n(c1=S)c1ccccc1)Nc1ccccc1
ZINC000006659528
ZINC06659528
ZINC6659528
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