Vitas-M small molecule compound
{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Catalog ID
STL368309
SMILES OC(=O)CSc1nnc(n1C(C)C)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 C16H19N3O4S MW 349.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N3O4S/c1-10(2)19-15(17-18-16(19)24-9-14(20)21)11-4-5-12-13(8-11)23-7-3-6-22-12/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,20,21)InChIKey
KYGTXQUWUWMEGA-UHFFFAOYSA-NSynonyms
((5(34dihydro2H15benzodioxepin7yl)4(propan2yl)4H124triazol3yl)sulfanyl)aceticacid
2((5(34dihydro2H15benzodioxepin7yl)4propan2yl124triazol3yl)sulfanyl)aceticacid
CC(C)N1C(=NN=C1SCC(=O)O)C2=CC3=C(C=C2)OCCCO3
InChI=1SC16H19N3O4Sc110(2)1915(171816(19)24914(20)21)11451213(811)237362212h45810H3679H212H3(H2021)
MFCD27220709
ZINC000064986914
ZINC64986914
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