Vitas-M small molecule compound
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(thiophen-2-ylmethyl)acetamide
Catalog ID
STL406058
SMILES O=C(NCc1cccs1)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 C19H20N4O3S2 MW 416.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N4O3S2/c1-23-18(13-5-6-15-16(10-13)26-8-3-7-25-15)21-22-19(23)28-12-17(24)20-11-14-4-2-9-27-14/h2,4-6,9-10H,3,7-8,11-12H2,1H3,(H,20,24)InChIKey
MWBHJWJMQQWRMF-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4methyl124triazol3yl)sulfanyl)N(thiophen2ylmethyl)acetamide
2((5(34dihydro2H15benzodioxepin7yl)4methyl4H124triazol3yl)sulfanyl)N(thiophen2ylmethyl)acetamide
CN1C(=NN=C1SCC(=O)NCC2=CC=CS2)C3=CC4=C(C=C3)OCCCO4
InChI=1SC19H20N4O3S2c12318(13561516(1013)268372515)212219(23)281217(24)2011144292714h246910H3781112H21H3(H2024)
MFCD15078911
ZINC000033087491
ZINC33087491
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