Vitas-M small molecule compound

4-[(8-methoxy-4-oxo-2-thioxo-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]-N-(4-methylcyclohexyl)benzamide

Catalog ID
STL131717
SMILES COc1ccc2c(c1)c1[nH]c(=S)n(c(=O)c1[nH]2)Cc1ccc(cc1)C(=O)NC1CCC(CC1)C

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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 C26H28N4O3S MW 476.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O3S/c1-15-3-9-18(10-4-15)27-24(31)17-7-5-16(6-8-17)14-30-25(32)23-22(29-26(30)34)20-13-19(33-2)11-12-21(20)28-23/h5-8,11-13,15,18,28H,3-4,9-10,14H2,1-2H3,(H,27,31)(H,29,34)
InChIKey
JWTOCZKWPFXGIC-UHFFFAOYSA-N
Synonyms
866588-97-8
4((8methoxy4oxo2sulfanylidene15dihydropyrimido(54b)indol3yl)methyl)N(4methylcyclohexyl)benzamide
4((8methoxy4oxo2thioxo1245tetrahydro3Hpyrimido(54b)indol3yl)methyl)N(4methylcyclohexyl)benzamide
4((8METHOXY4OXO2THIOXO1HPYRIMIDO(54B)INDOL3(2H4H5H)YL)METHYL)N(4METHYLCYCLOHEXYL)BENZAMIDE
866588978
CC1CCC(CC1)NC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C5=C(N4)C=CC(=C5)OC)NC3=S
COc1ccc2c(c1)c1(nH)c(=S)n(c(=O)c1(nH)2)Cc1ccc(cc1)C(=O)NC1CCC(CC1)C
InChI=1SC26H28N4O3Sc1153918(10415)2724(31)177516(6817)143025(32)2322(2926(30)34)201319(332)111221(20)2823h581113151828H3491014H212H3(H2731)(H2934)
MFCD05899741
ZINC000009969253
ZINC09969253
ZINC9969253

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.