Vitas-M small molecule compound
{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Catalog ID
STL368312
SMILES OC(=O)CSc1nnc(n1C1CC1)c1ccc2c(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 C16H17N3O4S MW 347.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O4S/c20-14(21)9-24-16-18-17-15(19(16)11-3-4-11)10-2-5-12-13(8-10)23-7-1-6-22-12/h2,5,8,11H,1,3-4,6-7,9H2,(H,20,21)InChIKey
BNEZWHHYEQUQGS-UHFFFAOYSA-NSynonyms
((4cyclopropyl5(34dihydro2H15benzodioxepin7yl)4H124triazol3yl)sulfanyl)aceticacid
2((4cyclopropyl5(34dihydro2H15benzodioxepin7yl)124triazol3yl)sulfanyl)aceticacid
C1COC2=C(C=C(C=C2)C3=NN=C(N3C4CC4)SCC(=O)O)OC1
InChI=1SC16H17N3O4Sc2014(21)92416181715(19(16)113411)10251213(810)237162212h25811H134679H2(H2021)
MFCD27221075
ZINC000035511663
ZINC35511663
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