Vitas-M small molecule compound
(3bR,4aR)-N-benzyl-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
STL526953
SMILES CC1=NN(C2(C1[C@H]1[C@H](C1(C)C)C2)O)C(=S)NCc1ccccc1
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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 C18H23N3OS MW 329.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23N3OS/c1-11-14-15-13(17(15,2)3)9-18(14,22)21(20-11)16(23)19-10-12-7-5-4-6-8-12/h4-8,13-15,22H,9-10H2,1-3H3,(H,19,23)/t13-,14?,15-,18?/m1/s1InChIKey
JUSBNFHLNFHRDG-XYSPPFBYSA-NSynonyms
956814-79-2(2~(R)4~(R))~(N)benzyl6hydroxy339trimethyl78diazatricyclo(4300^(24))non8ene7carbothioamide
(3bR4aR)Nbenzyl5ahydroxy344trimethyl3a3b44a55ahexahydro1Hcyclopropa(34)cyclopenta(12c)pyrazole1carbothioamide
16397606
956814792
CC1=NN(C2(C1(C@H)1(C@H)(C1(C)C)C2)O)C(=S)NCc1ccccc1
InChI=1SC18H23N3OSc111141513(17(152)3)918(1422)21(2011)16(23)1910127546812h48131522H910H213H3(H1923)t1314?1518?m1s1
MFCD03266155
ZINC000000486953
ZINC000020113118
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