Vitas-M small molecule compound

(2E)-N-benzyl-2-(3-chloro-5-methoxy-4-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethoxy}benzylidene)hydrazinecarbothioamide

Catalog ID
STK051062
SMILES COc1cc(/C=N/NC(=S)NCc2ccccc2)cc(c1OCCOc1cc(C)ccc1C(C)C)Cl

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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 C28H32ClN3O3S MW 526.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32ClN3O3S/c1-19(2)23-11-10-20(3)14-25(23)34-12-13-35-27-24(29)15-22(16-26(27)33-4)18-31-32-28(36)30-17-21-8-6-5-7-9-21/h5-11,14-16,18-19H,12-13,17H2,1-4H3,(H2,30,32,36)/b31-18+
InChIKey
AIFXUZGFSMQMNO-FDAWAROLSA-N
Synonyms

(2E)NBENZYL2(3CHLORO5METHOXY4(2(5METHYL2(PROPAN2YL)PHENOXY)ETHOXY)BENZYLIDENE)HYDRAZINECARBOTHIOAMIDE
(E)Nbenzyl2(3chloro4(2(2isopropyl5methylphenoxy)ethoxy)5methoxybenzylidene)hydrazinecarbothioamide
1benzyl3((E)(3chloro5methoxy4(2(5methyl2propan2ylphenoxy)ethoxy)phenyl)methylideneamino)thiourea
CC1=CC(=C(C=C1)C(C)C)OCCOC2=C(C=C(C=C2Cl)C=NNC(=S)NCC3=CC=CC=C3)OC
COc1cc(C=NNC(=S)NCc2ccccc2)cc(c1OCCOc1cc(C)ccc1C(C)C)Cl
InChI=1SC28H32ClN3O3Sc119(2)23111020(3)1425(23)341213352724(29)1522(1626(27)334)18313228(36)3017218657921h51114161819H121317H214H3(H2303236)b3118+
MFCD02988517
STK051062
ZINC000009310013
ZINC33889192

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Available files

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