Vitas-M small molecule compound
N-(1,3-benzothiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Catalog ID
STK337968
SMILES O=C(c1ccc2c(c1)OCCCO2)Nc1nc2c(s1)cccc2
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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 C17H14N2O3S MW 326.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N2O3S/c20-16(19-17-18-12-4-1-2-5-15(12)23-17)11-6-7-13-14(10-11)22-9-3-8-21-13/h1-2,4-7,10H,3,8-9H2,(H,18,19,20)InChIKey
WFRWDJKTOWJQGG-UHFFFAOYSA-NSynonyms
853891-30-22H3H4HBENZO(B)14DIOXEPIN7YLNBENZOTHIAZOL2YLCARBOXAMIDE
853891302
C1COC2=C(C=C(C=C2)C(=O)NC3=NC4=CC=CC=C4S3)OC1
InChI=1SC17H14N2O3Sc2016(19171812412515(12)2317)11671314(1011)229382113h124710H389H2(H181920)
MFCD06438870
N(13benzothiazol2yl)34dihydro2H15benzodioxepine7carboxamide
ZINC000004540170
ZINC04540170
ZINC4540170
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