Vitas-M small molecule compound
N-[(2Z)-5-[(E)-1-cyano-2-(4-{2-[2-(4-methylphenoxy)ethoxy]ethoxy}phenyl)ethenyl]-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Catalog ID
STK614274
SMILES N#C/C(=C\c1ccc(cc1)OCCOCCOc1ccc(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/c1-21-7-11-25(12-8-21)36-17-15-35-16-18-37-26-13-9-22(10-14-26)19-24(20-30)28-32-33-29(38-28)31-27(34)23-5-3-2-4-6-23/h2-14,19H,15-18H2,1H3,(H,31,33,34)/b24-19+InChIKey
OPLPYXYGMYUVFV-LYBHJNIJSA-NSynonyms
CC1=CC=C(C=C1)OCCOCCOC2=CC=C(C=C2)C=C(C#N)C3=NN=C(S3)NC(=O)C4=CC=CC=C4
InChI=1SC29H26N4O4Sc12171125(12821)361715351618372613922(101426)1924(2030)28323329(3828)3127(34)235324623h21419H1518H21H3(H313334)b2419+
MFCD08731269
N#CC(=Cc1ccc(cc1)OCCOCCOc1ccc(cc1)C)c1n(nH)c(=NC(=O)c2ccccc2)s1
N((2Z)5((E)1cyano2(4(2(2(4methylphenoxy)ethoxy)ethoxy)phenyl)ethenyl)134thiadiazol2(3H)ylidene)benzamide
ZINC000097968486
ZINC97968486
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