Vitas-M small molecule compound
(2Z)-2-{(1S,2R,5S)-2-[(5-tert-butyl-2-methylphenyl)sulfanyl]-6,8-dioxabicyclo[3.2.1]oct-4-ylidene}hydrazinecarbothioamide (non-preferred name)
Catalog ID
STK776741
SMILES NC(=S)N/N=C\1/C[C@@H](Sc2cc(ccc2C)C(C)(C)C)[C@H]2O[C@@H]1OC2
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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 C18H25N3O2S2 MW 379.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H25N3O2S2/c1-10-5-6-11(18(2,3)4)7-14(10)25-15-8-12(20-21-17(19)24)16-22-9-13(15)23-16/h5-7,13,15-16H,8-9H2,1-4H3,(H3,19,21,24)/b20-12-/t13-,15+,16-/m0/s1InChIKey
IWSHBYRABQSLRS-DGNYFOHOSA-NSynonyms
((Z)((1S2R5S)2(5tertbutyl2methylphenyl)sulfanyl68dioxabicyclo(321)octan4ylidene)amino)thiourea
(2Z)2((1S2R5S)2((5tertbutyl2methylphenyl)sulfanyl)68dioxabicyclo(321)oct4ylidene)hydrazinecarbothioamide(nonpreferredname)
CC1=C(C=C(C=C1)C(C)(C)C)SC2CC(=NNC(=S)N)C3OCC2O3
InChI=1SC18H25N3O2S2c1105611(18(23)4)714(10)2515812(202117(19)24)1622913(15)2316h57131516H89H214H3(H3192124)b2012t1315+16m0s1
MFCD13372210
NC(=S)NN=C1C(C@@H)(Sc2cc(ccc2C)C(C)(C)C)(C@H)2O(C@@H)1OC2
ZINC000004689905
ZINC36499760
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