Vitas-M small molecule compound
(2E)-2-{3-[3-(4-tert-butylphenoxy)propoxy]benzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide
Catalog ID
STK059429
SMILES C=CCNC(=S)N/N=C/c1cccc(c1)OCCCOc1ccc(cc1)C(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 C24H31N3O2S MW 425.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31N3O2S/c1-5-14-25-23(30)27-26-18-19-8-6-9-22(17-19)29-16-7-15-28-21-12-10-20(11-13-21)24(2,3)4/h5-6,8-13,17-18H,1,7,14-16H2,2-4H3,(H2,25,27,30)/b26-18+InChIKey
SSXPSDKXVRPBPB-NLRVBDNBSA-NSynonyms
(2E)2(3(3(4TERTBUTYLPHENOXY)PROPOXY)BENZYLIDENE)N(PROP2EN1YL)HYDRAZINECARBOTHIOAMIDE
1((E)(3(3(4tertbutylphenoxy)propoxy)phenyl)methylideneamino)3prop2enylthiourea
C=CCNC(=S)NN=Cc1cccc(c1)OCCCOc1ccc(cc1)C(C)(C)C
CC(C)(C)C1=CC=C(C=C1)OCCCOC2=CC=CC(=C2)C=NNC(=S)NCC=C
InChI=1SC24H31N3O2Sc15142523(30)2726181986922(1719)29167152821121020(111321)24(23)4h568131718H171416H224H3(H2252730)b2618+
MFCD05975548
STK059429
ZINC000006023008
ZINC96472410
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