Vitas-M small molecule compound
N-[(2E)-5-{(Z)-2-[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-1-cyanoethenyl}-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Catalog ID
STL053157
SMILES CCOc1cc(/C=C(\c2n[nH]/c(=N\C(=O)c3ccccc3)/s2)/C#N)cc(c1OCc1cccc2c1cccc2)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 C31H23ClN4O3S MW 567.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H23ClN4O3S/c1-2-38-27-17-20(16-26(32)28(27)39-19-23-13-8-12-21-9-6-7-14-25(21)23)15-24(18-33)30-35-36-31(40-30)34-29(37)22-10-4-3-5-11-22/h3-17H,2,19H2,1H3,(H,34,36,37)/b24-15-InChIKey
OAKQBLRYJIZWBM-IWIPYMOSSA-NSynonyms
CCOC1=C(C(=CC(=C1)C=C(C#N)C2=NN=C(S2)NC(=O)C3=CC=CC=C3)Cl)OCC4=CC=CC5=CC=CC=C54
CCOc1cc(C=C(c2n(nH)c(=NC(=O)c3ccccc3)s2)C#N)cc(c1OCc1cccc2c1cccc2)Cl
InChI=1SC31H23ClN4O3Sc1238271720(1626(32)28(27)39192313812219671425(21)23)1524(1833)30353631(4030)3429(37)22104351122h317H219H21H3(H343637)b2415
MFCD05734741
N((2E)5((Z)2(3chloro5ethoxy4(naphthalen1ylmethoxy)phenyl)1cyanoethenyl)134thiadiazol2(3H)ylidene)benzamide
N(5((Z)2(3chloro5ethoxy4(naphthalen1ylmethoxy)phenyl)1cyanoethenyl)134thiadiazol2yl)benzamide
ZINC000097970290
ZINC97970290
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