Vitas-M small molecule compound
N-cycloheptyl-2-{[4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK468091
SMILES COc1cc(cc(c1OC)OC)c1nnc(n1C)SCC(=O)NC1CCCCCC1
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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 C21H30N4O4S MW 434.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30N4O4S/c1-25-20(14-11-16(27-2)19(29-4)17(12-14)28-3)23-24-21(25)30-13-18(26)22-15-9-7-5-6-8-10-15/h11-12,15H,5-10,13H2,1-4H3,(H,22,26)InChIKey
ALBPXHMJQXPESS-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NC2CCCCCC2)C3=CC(=C(C(=C3)OC)OC)OC
InChI=1SC21H30N4O4Sc12520(141116(272)19(294)17(1214)283)232421(25)301318(26)2215975681015h111215H51013H214H3(H2226)
MFCD07058895
Ncycloheptyl2((4methyl5(345trimethoxyphenyl)124triazol3yl)sulfanyl)acetamide
Ncycloheptyl2((4methyl5(345trimethoxyphenyl)4H124triazol3yl)sulfanyl)acetamide
ZINC000017099126
ZINC17099126
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