Vitas-M small molecule compound
N-cyclopentyl-2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL406140
SMILES O=C(NC1CCCC1)CSc1nnc(n1C(C)C)Cc1ccc2c(c1)OCCCO2
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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 C22H30N4O3S MW 430.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N4O3S/c1-15(2)26-20(13-16-8-9-18-19(12-16)29-11-5-10-28-18)24-25-22(26)30-14-21(27)23-17-6-3-4-7-17/h8-9,12,15,17H,3-7,10-11,13-14H2,1-2H3,(H,23,27)InChIKey
FDASMTAUALVWMX-UHFFFAOYSA-NSynonyms
CC(C)N1C(=NN=C1SCC(=O)NC2CCCC2)CC3=CC4=C(C=C3)OCCCO4
InChI=1SC22H30N4O3Sc115(2)2620(1316891819(1216)29115102818)242522(26)301421(27)2317634717h89121517H3710111314H212H3(H2327)
MFCD30704406
Ncyclopentyl2((5(34dihydro2H15benzodioxepin7ylmethyl)4(propan2yl)4H124triazol3yl)sulfanyl)acetamide
Ncyclopentyl2((5(34dihydro2H15benzodioxepin7ylmethyl)4propan2yl124triazol3yl)sulfanyl)acetamide
ZINC000101160560
ZINC101160560
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