Vitas-M small molecule compound
methyl 5-({[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
Catalog ID
STL406077
SMILES COC(=O)c1ccc(o1)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 C19H19N3O5S MW 401.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O5S/c1-22-17(12-4-6-14-16(10-12)26-9-3-8-25-14)20-21-19(22)28-11-13-5-7-15(27-13)18(23)24-2/h4-7,10H,3,8-9,11H2,1-2H3InChIKey
MHOKIQVOSGBCOA-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC2=CC=C(O2)C(=O)OC)C3=CC4=C(C=C3)OCCCO4
InChI=1SC19H19N3O5Sc12217(12461416(1012)269382514)202119(22)2811135715(2713)18(23)242h4710H38911H212H3
methyl5(((5(34dihydro2H15benzodioxepin7yl)4methyl4H124triazol3yl)sulfanyl)methyl)furan2carboxylate
methyl5((5(34dihydro2H15benzodioxepin7yl)4methyl124triazol3yl)sulfanylmethyl)furan2carboxylate
MFCD15078903
ZINC000021723216
ZINC21723216
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