Vitas-M small molecule compound
N-tert-butyl-2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL415865
SMILES O=C(NC(C)(C)C)CSc1nnc(n1c1ccccc1)c1ccc2c(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 C23H26N4O3S MW 438.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N4O3S/c1-23(2,3)24-20(28)15-31-22-26-25-21(27(22)17-8-5-4-6-9-17)16-10-11-18-19(14-16)30-13-7-12-29-18/h4-6,8-11,14H,7,12-13,15H2,1-3H3,(H,24,28)InChIKey
KMRGLYBEOCIULA-UHFFFAOYSA-NSynonyms
CC(C)(C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC4=C(C=C3)OCCCO4
InChI=1SC23H26N4O3Sc123(23)2420(28)153122262521(27(22)178546917)1610111819(1416)30137122918h4681114H7121315H213H3(H2428)
MFCD27221087
Ntertbutyl2((5(34dihydro2H15benzodioxepin7yl)4phenyl124triazol3yl)sulfanyl)acetamide
Ntertbutyl2((5(34dihydro2H15benzodioxepin7yl)4phenyl4H124triazol3yl)sulfanyl)acetamide
ZINC000064987173
ZINC64987173
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