Vitas-M small molecule compound
3-(4-chlorophenyl)-2-methyl-5-(thiophen-2-ylcarbonyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Catalog ID
STL192590
SMILES Clc1ccc(cc1)N1C(=O)N(C2CC1(C)Oc1c2cccc1)C(=O)c1cccs1
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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 C22H17ClN2O3S MW 424.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN2O3S/c1-22-13-17(16-5-2-3-6-18(16)28-22)24(20(26)19-7-4-12-29-19)21(27)25(22)15-10-8-14(23)9-11-15/h2-12,17H,13H2,1H3InChIKey
IXPJSHUJVZZMMO-UHFFFAOYSA-NSynonyms
3(4chlorophenyl)2methyl5(thiophen2ylcarbonyl)2356tetrahydro4H26methano135benzoxadiazocin4one
CC12CC(C3=CC=CC=C3O1)N(C(=O)N2C4=CC=C(C=C4)Cl)C(=O)C5=CC=CS5
InChI=1SC22H17ClN2O3Sc1221317(16523618(16)2822)24(20(26)1974122919)21(27)25(22)1510814(23)91115h21217H13H21H3
MFCD14741468
ZINC000009604445
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