Vitas-M small molecule compound
2-(1H-benzimidazol-2-ylsulfanyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)acetamide
Catalog ID
STL430257
SMILES O=C(CSc1nc2c([nH]1)cccc2)NCc1ccc2c(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 C19H19N3O3S MW 369.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O3S/c23-18(12-26-19-21-14-4-1-2-5-15(14)22-19)20-11-13-6-7-16-17(10-13)25-9-3-8-24-16/h1-2,4-7,10H,3,8-9,11-12H2,(H,20,23)(H,21,22)InChIKey
QELVSSYUEBLOIG-UHFFFAOYSA-NSynonyms
2(1Hbenzimidazol2ylsulfanyl)N(34dihydro2H15benzodioxepin7ylmethyl)acetamide
C1COC2=C(C=C(C=C2)CNC(=O)CSC3=NC4=CC=CC=C4N3)OC1
InChI=1SC19H19N3O3Sc2318(1226192114412515(14)2219)201113671617(1013)259382416h124710H3891112H2(H2023)(H2122)
MFCD27221013
O=C(CSc1nc2c((nH)1)cccc2)NCc1ccc2c(c1)OCCCO2
ZINC000096325034
ZINC96325034
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