Vitas-M small molecule compound
(2E)-2-[(5alpha,8xi,9xi,14xi,20E)-3-hydroxypregn-16-en-20-ylidene]hydrazinecarbothioamide
Catalog ID
STL524388
SMILES OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC=C2/C(=N/NC(=S)N)/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 C22H35N3OS MW 389.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H35N3OS/c1-13(24-25-20(23)27)17-6-7-18-16-5-4-14-12-15(26)8-10-21(14,2)19(16)9-11-22(17,18)3/h6,14-16,18-19,26H,4-5,7-12H2,1-3H3,(H3,23,25,27)/b24-13+/t14-,15?,16?,18?,19?,21-,22+/m0/s1InChIKey
AKPCCIPQFSCLFK-LUZQXTNPSA-NSynonyms
((~(E))1((5~(S)10~(S)13~(S))3hydroxy1013dimethyl2345678911121415dodecahydro1~(H)cyclopenta(a)phenanthren17yl)ethylideneamino)thiourea
(2E)2((5alpha8xi9xi14xi20E)3hydroxypregn16en20ylidene)hydrazinecarbothioamide
(E)2(1((5S10S13S)3hydroxy1013dimethyl23456789101112131415tetradecahydro1Hcyclopenta(a)phenanthren17yl)ethylidene)hydrazinecarbothioamide
16396759
InChI=1SC22H35N3OSc113(242520(23)27)1767181654141215(26)81021(142)19(16)91122(1718)3h61416181926H45712H213H3(H3232527)b2413+t1415?16?18?19?2122+m0s1
MFCD02058552
OC1CC(C@)2((C@H)(C1)CCC1C2CC(C@)2(C1CC=C2C(=NNC(=S)N)C)C)C
ZINC000012474817
ZINC000253498880
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