Vitas-M small molecule compound
(2Z)-2-[(3Z,5alpha,8xi,9xi,14xi)-17-hydroxyandrostan-3-ylidene]hydrazinecarbothioamide
Catalog ID
STL525841
SMILES NC(=S)N/N=C\1/CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CCC2O)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 C20H33N3OS MW 363.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H33N3OS/c1-19-9-7-13(22-23-18(21)25)11-12(19)3-4-14-15-5-6-17(24)20(15,2)10-8-16(14)19/h12,14-17,24H,3-11H2,1-2H3,(H3,21,23,25)/b22-13-/t12-,14?,15?,16?,17?,19-,20-/m0/s1InChIKey
YSALUCJHTGLMGQ-PZBGPVNRSA-NSynonyms
((~(Z))((5~(S)10~(S)13~(S))17hydroxy1013dimethyl12456789111214151617tetradecahydrocyclopenta(a)phenanthren3ylidene)amino)thiourea
(2Z)2((3Z5alpha8xi9xi14xi)17hydroxyandrostan3ylidene)hydrazinecarbothioamide
16396782
2((5S10S13S)17hydroxy1013dimethyldodecahydro1Hcyclopenta(a)phenanthren3(2H4H10H)ylidene)hydrazinecarbothioamide
InChI=1SC20H33N3OSc1199713(222318(21)25)1112(19)3414155617(24)20(152)10816(14)19h12141724H311H212H3(H3212325)b2213t1214?15?16?17?1920m0s1
MFCD02058773
NC(=S)NN=C1CC(C@)2((C@H)(C1)CCC1C2CC(C@)2(C1CCC2O)C)C
ZINC000004028045
ZINC000257372903
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