Vitas-M small molecule compound

methyl 4-{(E)-[2-({[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate

Catalog ID
STK015235
SMILES COC(=O)c1ccc(cc1)/C=N/NC(=O)CSc1nnc(s1)SCc1ccccc1

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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 C20H18N4O3S3 MW 458.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O3S3/c1-27-18(26)16-9-7-14(8-10-16)11-21-22-17(25)13-29-20-24-23-19(30-20)28-12-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3,(H,22,25)/b21-11+
InChIKey
IGIYVQAFHIMUDB-SRZZPIQSSA-N
Synonyms
315200-79-4
(E)methyl4((2(2((5(benzylthio)134thiadiazol2yl)thio)acetyl)hydrazono)methyl)benzoate
315200794
COC(=O)C1=CC=C(C=C1)C=NNC(=O)CSC2=NN=C(S2)SCC3=CC=CC=C3
COC(=O)c1ccc(cc1)C=NNC(=O)CSc1nnc(s1)SCc1ccccc1
InChI=1SC20H18N4O3S3c12718(26)169714(81016)11212217(25)132920242319(3020)2812155324615h211H1213H21H3(H2225)b2111+
METHYL4((E)((2((5BENZYLSULFANYL134THIADIAZOL2YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOATE
METHYL4((E)(2(((5(BENZYLSULFANYL)134THIADIAZOL2YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOATE
MFCD02075640
STK015235
ZINC000002331408
ZINC33361251

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.