Vitas-M small molecule compound
4-[{[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]acetyl}(pyridin-3-ylmethyl)amino]-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)tetrahydro-2H-thiopyran-4-carboxamide
Catalog ID
STL439451
SMILES O=C(N(C1(CCSCC1)C(=O)NC12CC3CC(C2)CC(C1)C3)Cc1cccnc1)CC1C(C1(C)C)c1c(C)[nH]c2c1cccc2
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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 C38H48N4O2S MW 624.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H48N4O2S/c1-24-33(29-8-4-5-9-31(29)40-24)34-30(36(34,2)3)18-32(43)42(23-25-7-6-12-39-22-25)38(10-13-45-14-11-38)35(44)41-37-19-26-15-27(20-37)17-28(16-26)21-37/h4-9,12,22,26-28,30,34,40H,10-11,13-21,23H2,1-3H3,(H,41,44)InChIKey
ZOFKIBSEJXBOGA-UHFFFAOYSA-NSynonyms
4(((22dimethyl3(2methyl1Hindol3yl)cyclopropyl)acetyl)(pyridin3ylmethyl)amino)N(tricyclo(3311~37~)dec1yl)tetrahydro2Hthiopyran4carboxamide
CC1=C(C2=CC=CC=C2N1)C3C(C3(C)C)CC(=O)N(CC4=CN=CC=C4)C5(CCSCC5)C(=O)NC67CC8CC(C6)CC(C8)C7
InChI=1SC38H48N4O2Sc12433(29845931(29)4024)3430(36(342)3)1832(43)42(23257612392225)38(101345141138)35(44)413719261527(2037)1728(1626)2137h4912222628303440H1011132123H213H3(H4144)
N(1ADAMANTYL)4((2(22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)ACETYL)(PYRIDIN3YLMETHYL)AMINO)THIANE4CARBOXAMIDE
O=C(N(C1(CCSCC1)C(=O)NC12CC3CC(C2)CC(C1)C3)Cc1cccnc1)CC1C(C1(C)C)c1c(C)(nH)c2c1cccc2
ZINC000008696054
ZINC000110348632
Check stock
See real-time availability and sample size for STL439451 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.