Vitas-M small molecule compound
N'-{(E)-[4-(pentyloxy)phenyl]methylidene}-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Catalog ID
STL171070
SMILES CCCCCOc1ccc(cc1)/C=N/NC(=O)CSc1nnc(n1c1ccccc1)c1ccncc1
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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 C27H28N6O2S MW 500.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N6O2S/c1-2-3-7-18-35-24-12-10-21(11-13-24)19-29-30-25(34)20-36-27-32-31-26(22-14-16-28-17-15-22)33(27)23-8-5-4-6-9-23/h4-6,8-17,19H,2-3,7,18,20H2,1H3,(H,30,34)/b29-19+InChIKey
WSKTULGPDYDNCM-VUTHCHCSSA-NSynonyms
CCCCCOC1=CC=C(C=C1)C=NNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4
CCCCCOc1ccc(cc1)C=NNC(=O)CSc1nnc(n1c1ccccc1)c1ccncc1
InChI=1SC27H28N6O2Sc1237183524121021(111324)19293025(34)203627323126(22141628171522)33(27)238546923h4681719H2371820H21H3(H3034)b2919+
MFCD01583964
N((E)(4(pentyloxy)phenyl)methylidene)2((4phenyl5(pyridin4yl)4H124triazol3yl)sulfanyl)acetohydrazide
N((E)(4pentoxyphenyl)methylideneamino)2((4phenyl5pyridin4yl124triazol3yl)sulfanyl)acetamide
ZINC000015930119
ZINC83329065
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