Vitas-M small molecule compound
(2E)-N-benzyl-2-{2-[2-(4-tert-butylphenoxy)ethoxy]benzylidene}hydrazinecarbothioamide
Catalog ID
STK015322
SMILES S=C(NCc1ccccc1)N/N=C/c1ccccc1OCCOc1ccc(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 C27H31N3O2S MW 461.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O2S/c1-27(2,3)23-13-15-24(16-14-23)31-17-18-32-25-12-8-7-11-22(25)20-29-30-26(33)28-19-21-9-5-4-6-10-21/h4-16,20H,17-19H2,1-3H3,(H2,28,30,33)/b29-20+InChIKey
NPAXTHQLNJDOKD-ZTKZIYFRSA-NSynonyms
(2E)NBENZYL2(2(2(4TERTBUTYLPHENOXY)ETHOXY)BENZYLIDENE)HYDRAZINECARBOTHIOAMIDE
1benzyl3((E)(2(2(4tertbutylphenoxy)ethoxy)phenyl)methylideneamino)thiourea
CC(C)(C)C1=CC=C(C=C1)OCCOC2=CC=CC=C2C=NNC(=S)NCC3=CC=CC=C3
InChI=1SC27H31N3O2Sc127(23)23131524(161423)311718322512871122(25)20293026(33)28192195461021h41620H1719H213H3(H2283033)b2920+
MFCD02205360
S=C(NCc1ccccc1)NN=Cc1ccccc1OCCOc1ccc(cc1)C(C)(C)C
STK015322
ZINC000013940117
ZINC34839588
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