Vitas-M small molecule compound
{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Catalog ID
STL368308
SMILES OC(=O)CSc1nnc(n1C)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 C14H15N3O4S MW 321.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15N3O4S/c1-17-13(15-16-14(17)22-8-12(18)19)9-3-4-10-11(7-9)21-6-2-5-20-10/h3-4,7H,2,5-6,8H2,1H3,(H,18,19)InChIKey
NISKOHAALLEQKS-UHFFFAOYSA-NSynonyms
((5(34dihydro2H15benzodioxepin7yl)4methyl4H124triazol3yl)sulfanyl)aceticacid
2((5(34dihydro2H15benzodioxepin7yl)4methyl124triazol3yl)sulfanyl)aceticacid
CN1C(=NN=C1SCC(=O)O)C2=CC3=C(C=C2)OCCCO3
InChI=1SC14H15N3O4Sc11713(151614(17)22812(18)19)9341011(79)216252010h347H2568H21H3(H1819)
MFCD27220661
ZINC000035511639
ZINC35511639
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