Vitas-M small molecule compound

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-tetrazol-1-yl)-3-(thiophen-3-yl)propanamide

Catalog ID
STL569462
SMILES O=C(CC(n1cnnn1)c1cscc1)Nc1ccc2c(c1)OCCO2

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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 C16H15N5O3S MW 357.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N5O3S/c22-16(18-12-1-2-14-15(7-12)24-5-4-23-14)8-13(11-3-6-25-9-11)21-10-17-19-20-21/h1-3,6-7,9-10,13H,4-5,8H2,(H,18,22)
InChIKey
AERLUNAFMHJLGV-UHFFFAOYSA-N
Synonyms

128963140
InChI=1SC16H15N5O3Sc2216(1812121415(712)24542314)813(113625911)211017192021h136791013H458H2(H1822)
MFCD32654419
N(23dihydro14benzodioxin6yl)3(1Htetrazol1yl)3(thiophen3yl)propanamide
N(23dihydro14benzodioxin6yl)3(tetrazol1yl)3thiophen3ylpropanamide
N(23dihydrobenzo(b)(14)dioxin6yl)3(1Htetrazol1yl)3(thiophen3yl)propanamide
ZINC000524734132
ZINC000524734133

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.