Vitas-M small molecule compound
N-[(2E)-5-[(Z)-1-cyano-2-(2-{2-[2-(4-methylphenoxy)ethoxy]ethoxy}phenyl)ethenyl]-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Catalog ID
STK609981
SMILES N#C/C(=C/c1ccccc1OCCOCCOc1ccc(cc1)C)/c1n[nH]/c(=N\C(=O)c2ccccc2)/s1
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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 C29H26N4O4S MW 526.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N4O4S/c1-21-11-13-25(14-12-21)36-17-15-35-16-18-37-26-10-6-5-9-23(26)19-24(20-30)28-32-33-29(38-28)31-27(34)22-7-3-2-4-8-22/h2-14,19H,15-18H2,1H3,(H,31,33,34)/b24-19-InChIKey
AASQRVGXVKMPSB-CLCOLTQESA-NSynonyms
CC1=CC=C(C=C1)OCCOCCOC2=CC=CC=C2C=C(C#N)C3=NN=C(S3)NC(=O)C4=CC=CC=C4
InChI=1SC29H26N4O4Sc121111325(141221)36171535161837261065923(26)1924(2030)28323329(3828)3127(34)227324822h21419H1518H21H3(H313334)b2419
MFCD08733869
N#CC(=Cc1ccccc1OCCOCCOc1ccc(cc1)C)c1n(nH)c(=NC(=O)c2ccccc2)s1
N((2E)5((Z)1cyano2(2(2(2(4methylphenoxy)ethoxy)ethoxy)phenyl)ethenyl)134thiadiazol2(3H)ylidene)benzamide
N(5((Z)1cyano2(2(2(2(4methylphenoxy)ethoxy)ethoxy)phenyl)ethenyl)134thiadiazol2yl)benzamide
ZINC000097968480
ZINC97968480
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