Vitas-M small molecule compound
(3bR,4aR)-N-tert-butyl-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
STL562608
SMILES CC1=NN(C2(C1[C@H]1[C@H](C1(C)C)C2)O)C(=S)NC(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 C15H25N3OS MW 295.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H25N3OS/c1-8-10-11-9(14(11,5)6)7-15(10,19)18(17-8)12(20)16-13(2,3)4/h9-11,19H,7H2,1-6H3,(H,16,20)/t9-,10?,11-,15?/m1/s1InChIKey
QPDGQNVFDCDOBR-GPZIFOQPSA-NSynonyms
956976-97-9(2R4R)Ntertbutyl6hydroxy339trimethyl78diazatricyclo(430024)non8ene7carbothioamide
(3bR4aR)N(tertbutyl)5ahydroxy344trimethyl3a3b44a55ahexahydro1Hcyclopropa(34)cyclopenta(12c)pyrazole1carbothioamide
(3bR4aR)Ntertbutyl5ahydroxy344trimethyl3a3b44a55ahexahydro1Hcyclopropa(34)cyclopenta(12c)pyrazole1carbothioamide
16397583
956976979
CC1=NN(C2(C1(C@H)1(C@H)(C1(C)C)C2)O)C(=S)NC(C)(C)C
InChI=1SC15H25N3OSc1810119(14(115)6)715(1019)18(178)12(20)1613(23)4h91119H7H216H3(H1620)t910?1115?m1s1
MFCD32651310
ZINC000000486891
ZINC000000486894
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