Vitas-M small molecule compound
N-cyclopropyl-2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL415834
SMILES O=C(NC1CC1)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 C22H22N4O3S MW 422.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3S/c27-20(23-16-8-9-16)14-30-22-25-24-21(26(22)17-5-2-1-3-6-17)15-7-10-18-19(13-15)29-12-4-11-28-18/h1-3,5-7,10,13,16H,4,8-9,11-12,14H2,(H,23,27)InChIKey
IRVSQASGDDBGCA-UHFFFAOYSA-NSynonyms
C1COC2=C(C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)NC5CC5)OC1
InChI=1SC22H22N4O3Sc2720(23168916)143022252421(26(22)175213617)157101819(1315)29124112818h1357101316H489111214H2(H2327)
MFCD27221295
Ncyclopropyl2((5(34dihydro2H15benzodioxepin7yl)4phenyl124triazol3yl)sulfanyl)acetamide
Ncyclopropyl2((5(34dihydro2H15benzodioxepin7yl)4phenyl4H124triazol3yl)sulfanyl)acetamide
ZINC000064987309
ZINC64987309
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