Vitas-M small molecule compound

2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]acetamide

Catalog ID
STL406014
SMILES O=C(CSc1nnc(n1C)c1ccc2c(c1)OCCCO2)NCc1ccc2c(c1)CC(O2)C

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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 C24H26N4O4S MW 466.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O4S/c1-15-10-18-11-16(4-6-19(18)32-15)13-25-22(29)14-33-24-27-26-23(28(24)2)17-5-7-20-21(12-17)31-9-3-8-30-20/h4-7,11-12,15H,3,8-10,13-14H2,1-2H3,(H,25,29)
InChIKey
MFQMMTMKEQZNIW-UHFFFAOYSA-N
Synonyms

2((5(34dihydro2H15benzodioxepin7yl)4methyl124triazol3yl)sulfanyl)N((2methyl23dihydro1benzofuran5yl)methyl)acetamide
2((5(34dihydro2H15benzodioxepin7yl)4methyl4H124triazol3yl)sulfanyl)N((2methyl23dihydro1benzofuran5yl)methyl)acetamide
CC1CC2=C(O1)C=CC(=C2)CNC(=O)CSC3=NN=C(N3C)C4=CC5=C(C=C4)OCCCO5
InChI=1SC24H26N4O4Sc11510181116(4619(18)3215)132522(29)143324272623(28(24)2)17572021(1217)319383020h47111215H38101314H212H3(H2529)
MFCD27220635
ZINC000064986869
ZINC000064986870

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Available files

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