Vitas-M small molecule compound
(3E,8xi)-3-(2-carbamothioylhydrazinylidene)carda-14,16,20(22)-trienolide
Catalog ID
STL541837
SMILES NC(=S)N/N=C/1\CC[C@]2(C(C1)CCC1[C@@H]2CC[C@]2(C1=CC=C2C1=CC(=O)OC1)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 C24H31N3O2S MW 425.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31N3O2S/c1-23-9-7-16(26-27-22(25)30)12-15(23)3-4-17-19-6-5-18(14-11-21(28)29-13-14)24(19,2)10-8-20(17)23/h5-6,11,15,17,20H,3-4,7-10,12-13H2,1-2H3,(H3,25,27,30)/b26-16+/t15?,17?,20-,23-,24+/m0/s1InChIKey
SERMPXSEVYHFRL-SAYCAUSXSA-NSynonyms
((~(E))((9~(S)10~(S)13~(S))1013dimethyl17(5oxo2~(H)furan3yl)124567891112decahydrocyclopenta(a)phenanthren3ylidene)amino)thiourea
(3E8xi)3(2carbamothioylhydrazinylidene)carda141620(22)trienolide
16399967
2((9S10S13S)1013dimethyl17(5oxo25dihydrofuran3yl)56789111213octahydro1Hcyclopenta(a)phenanthren3(2H4H10H)ylidene)hydrazinecarbothioamide
InChI=1SC24H31N3O2Sc1239716(262722(25)30)1215(23)3417196518(141121(28)291314)24(192)10820(17)23h5611151720H347101213H212H3(H3252730)b2616+t15?17?202324+m0s1
MFCD04146755
NC(=S)NN=C1CC(C@)2(C(C1)CCC1(C@@H)2CC(C@)2(C1=CC=C2C1=CC(=O)OC1)C)C
ZINC000012862529
ZINC000012862552
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