Vitas-M small molecule compound
N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-{[4-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL406171
SMILES O=C(CSc1nnc(n1C)c1ccc2c(c1)CCCC2)NCc1cc2OCCCOc2cc1C
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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 C26H30N4O3S MW 478.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N4O3S/c1-17-12-22-23(33-11-5-10-32-22)14-21(17)15-27-24(31)16-34-26-29-28-25(30(26)2)20-9-8-18-6-3-4-7-19(18)13-20/h8-9,12-14H,3-7,10-11,15-16H2,1-2H3,(H,27,31)InChIKey
OSTRDSLAEMBBRL-UHFFFAOYSA-NSynonyms
CC1=CC2=C(C=C1CNC(=O)CSC3=NN=C(N3C)C4=CC5=C(CCCC5)C=C4)OCCCO2
InChI=1SC26H30N4O3Sc117122223(33115103222)1421(17)152724(31)163426292825(30(26)2)209818634719(18)1320h891214H3710111516H212H3(H2731)
MFCD27221188
N((8methyl34dihydro2H15benzodioxepin7yl)methyl)2((4methyl5(5678tetrahydronaphthalen2yl)124triazol3yl)sulfanyl)acetamide
N((8methyl34dihydro2H15benzodioxepin7yl)methyl)2((4methyl5(5678tetrahydronaphthalen2yl)4H124triazol3yl)sulfanyl)acetamide
ZINC000064987199
ZINC64987199
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