Vitas-M small molecule compound
{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Catalog ID
STL368314
SMILES OC(=O)CSc1nnc(n1c1ccccc1)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 C20H19N3O4S MW 397.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O4S/c24-19(25)13-28-20-22-21-18(23(20)15-5-2-1-3-6-15)12-14-7-8-16-17(11-14)27-10-4-9-26-16/h1-3,5-8,11H,4,9-10,12-13H2,(H,24,25)InChIKey
IPSYDSBZFNJXIU-UHFFFAOYSA-NSynonyms
((5(34dihydro2H15benzodioxepin7ylmethyl)4phenyl4H124triazol3yl)sulfanyl)aceticacid
2((5(34dihydro2H15benzodioxepin7ylmethyl)4phenyl124triazol3yl)sulfanyl)aceticacid
C1COC2=C(C=C(C=C2)CC3=NN=C(N3C4=CC=CC=C4)SCC(=O)O)OC1
InChI=1SC20H19N3O4Sc2419(25)132820222118(23(20)155213615)1214781617(1114)2710492616h135811H49101213H2(H2425)
MFCD28952277
ZINC000098086491
ZINC98086491
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