Vitas-M small molecule compound

N'-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylidene]-2-({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide

Catalog ID
STK957884
SMILES C=CCn1c(SCC(=O)N/N=C/c2cc(Br)c(cc2OC)OC)nnc1COc1ccc(cc1)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 C23H23BrClN5O4S MW 580.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23BrClN5O4S/c1-4-9-30-21(13-34-17-7-5-16(25)6-8-17)27-29-23(30)35-14-22(31)28-26-12-15-10-18(24)20(33-3)11-19(15)32-2/h4-8,10-12H,1,9,13-14H2,2-3H3,(H,28,31)/b26-12+
InChIKey
RTIVXZXUYGVLGV-RPPGKUMJSA-N
Synonyms
570417-96-8
2((4ALLYL5((4CHLOROPHENOXY)METHYL)4H124TRIAZOL3YL)SULFANYL)N(5BROMO24DIMETHOXYBENZYLIDENE)ACETOHYDRAZIDE
570417968
C=CCn1c(SCC(=O)NN=Cc2cc(Br)c(cc2OC)OC)nnc1COc1ccc(cc1)Cl
COC1=CC(=C(C=C1C=NNC(=O)CSC2=NN=C(N2CC=C)COC3=CC=C(C=C3)Cl)Br)OC
InChI=1SC23H23BrClN5O4Sc1493021(1334177516(25)6817)272923(30)351422(31)282612151018(24)20(333)1119(15)322h481012H191314H223H3(H2831)b2612+
MFCD01436844
N((E)(5bromo24dimethoxyphenyl)methylidene)2((5((4chlorophenoxy)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetohydrazide
N((E)(5bromo24dimethoxyphenyl)methylideneamino)2((5((4chlorophenoxy)methyl)4prop2enyl124triazol3yl)sulfanyl)acetamide
ZINC000008397363
ZINC100334685

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Available files

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