Vitas-M small molecule compound
2-{[5-(1,3-benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethanone
Catalog ID
STK497873
SMILES O=C(N1CCOCC1)CSc1nnc(n1C)c1ccc2c(c1)OCO2
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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 C16H18N4O4S MW 362.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O4S/c1-19-15(11-2-3-12-13(8-11)24-10-23-12)17-18-16(19)25-9-14(21)20-4-6-22-7-5-20/h2-3,8H,4-7,9-10H2,1H3InChIKey
XGKLIIJCGHOWDU-UHFFFAOYSA-NSynonyms
2((5(13benzodioxol5yl)4methyl124triazol3yl)sulfanyl)1morpholin4ylethanone
2((5(13benzodioxol5yl)4methyl4H124triazol3yl)sulfanyl)1(morpholin4yl)ethanone
CN1C(=NN=C1SCC(=O)N2CCOCC2)C3=CC4=C(C=C3)OCO4
InChI=1SC16H18N4O4Sc11915(11231213(811)24102312)171816(19)25914(21)2046227520h238H47910H21H3
MFCD11855145
ZINC000020171039
ZINC20171039
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