Vitas-M small molecule compound
1-[3-amino-6-methyl-4-(2-nitrophenyl)-2-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-4,7-dihydrothieno[2,3-b]pyridin-5-yl]ethanone
Catalog ID
STL335874
SMILES CC1=C(C(=O)C)C(c2c(N1)sc(c2N)C(=O)C12CC3CC(C2)CC(C1)C3)c1ccccc1[N+](=O)[O-]
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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 C27H29N3O4S MW 491.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O4S/c1-13-20(14(2)31)21(18-5-3-4-6-19(18)30(33)34)22-23(28)24(35-26(22)29-13)25(32)27-10-15-7-16(11-27)9-17(8-15)12-27/h3-6,15-17,21,29H,7-12,28H2,1-2H3InChIKey
UYLJTEFQWAQNDE-UHFFFAOYSA-NSynonyms
1((R)2((3R5R7R)adamantane1carbonyl)3amino6methyl4(2nitrophenyl)47dihydrothieno(23b)pyridin5yl)ethanone
1(2(ADAMANTANE1CARBONYL)3AMINO6METHYL4(2NITROPHENYL)47DIHYDROTHIENO(23B)PYRIDIN5YL)ETHANONE
1(3amino6methyl4(2nitrophenyl)2(tricyclo(3311~37~)dec1ylcarbonyl)47dihydrothieno(23b)pyridin5yl)ethanone
CC1=C(C(=O)C)(C@H)(c2c(N1)sc(c2N)C(=O)C12CC3CC(C2)CC(C1)C3)c1ccccc1(N+)(=O)(O)
CC1=C(C(=O)C)C(c2c(N1)sc(c2N)C(=O)C12CC3CC(C2)CC(C1)C3)c1ccccc1(N+)(=O)(O)
CC1=C(C(C2=C(N1)SC(=C2N)C(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6(N+)(=O)(O))C(=O)C
InChI=1SC27H29N3O4Sc11320(14(2)31)21(18534619(18)30(33)34)2223(28)24(3526(22)2913)25(32)271015716(1127)917(815)1227h3615172129H71228H212H3
ZINC000013617894
ZINC000016038068
Check stock
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Check stock on Vitas-MAvailable files
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