Vitas-M small molecule compound
N-(2-methyl-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Catalog ID
STL156124
SMILES O=C(c1ccc2c(c1)OCCCO2)Nc1n(C)nc2c1CSC2
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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 C16H17N3O3S MW 331.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O3S/c1-19-15(11-8-23-9-12(11)18-19)17-16(20)10-3-4-13-14(7-10)22-6-2-5-21-13/h3-4,7H,2,5-6,8-9H2,1H3,(H,17,20)InChIKey
AENCTOIXOSVNMY-UHFFFAOYSA-NSynonyms
1282126-35-51282126355
CN1C(=C2CSCC2=N1)NC(=O)C3=CC4=C(C=C3)OCCCO4
InChI=1SC16H17N3O3Sc11915(11823912(11)1819)1716(20)10341314(710)226252113h347H25689H21H3(H1720)
MFCD18799865
N(2methyl26dihydro4Hthieno(34c)pyrazol3yl)34dihydro2H15benzodioxepine7carboxamide
N(2methyl46dihydro2Hthieno(34c)pyrazol3yl)34dihydro2Hbenzo(b)(14)dioxepine7carboxamide
N(2methyl46dihydrothieno(34c)pyrazol3yl)34dihydro2H15benzodioxepine7carboxamide
ZINC000061721542
ZINC61721542
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