Vitas-M small molecule compound
(3bR,4aR)-N-ethyl-5a-hydroxy-3,4,4-trimethyl-3a,3b,4,4a,5,5a-hexahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide
Catalog ID
STL526863
SMILES CCNC(=S)N1N=C(C2C1(O)C[C@@H]1[C@H]2C1(C)C)C
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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 C13H21N3OS MW 267.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H21N3OS/c1-5-14-11(18)16-13(17)6-8-10(12(8,3)4)9(13)7(2)15-16/h8-10,17H,5-6H2,1-4H3,(H,14,18)/t8-,9?,10-,13?/m1/s1InChIKey
QFVAHSLLZTWZCY-SUIRZZFNSA-NSynonyms
957031-29-7(2~(R)4~(R))~(N)ethyl6hydroxy339trimethyl78diazatricyclo(4300^(24))non8ene7carbothioamide
(3bR4aR)Nethyl5ahydroxy344trimethyl3a3b44a55ahexahydro1Hcyclopropa(34)cyclopenta(12c)pyrazole1carbothioamide
16397602
957031297
CCNC(=S)N1N=C(C2C1(O)C(C@@H)1(C@H)2C1(C)C)C
InChI=1SC13H21N3OSc151411(18)1613(17)6810(12(83)4)9(13)7(2)1516h81017H56H214H3(H1418)t89?1013?m1s1
MFCD03266117
ZINC000000486940
ZINC000004029660
Check stock
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Check stock on Vitas-MAvailable files
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