Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-{[5-(1-benzofuran-2-yl)-4-benzyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL405961
SMILES O=C(Nc1ccc2c(c1)OCO2)CSc1nnc(n1Cc1ccccc1)c1cc2c(o1)cccc2
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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 C26H20N4O4S MW 484.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N4O4S/c31-24(27-19-10-11-21-22(13-19)33-16-32-21)15-35-26-29-28-25(30(26)14-17-6-2-1-3-7-17)23-12-18-8-4-5-9-20(18)34-23/h1-13H,14-16H2,(H,27,31)InChIKey
RLPDDDFHUOAFOI-UHFFFAOYSA-NSynonyms
C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CC6=CC=CC=C6O5
InChI=1SC26H20N4O4Sc3124(271910112122(1319)33163221)153526292825(30(26)14176213717)231218845920(18)3423h113H1416H2(H2731)
MFCD27222536
N(13benzodioxol5yl)2((5(1benzofuran2yl)4benzyl124triazol3yl)sulfanyl)acetamide
N(13benzodioxol5yl)2((5(1benzofuran2yl)4benzyl4H124triazol3yl)sulfanyl)acetamide
ZINC000020193779
ZINC20193779
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