Vitas-M small molecule compound

N-{[5-({2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide

Catalog ID
STK246150
SMILES CCn1c(SCC(=O)Nc2nnc(s2)C2CC2)nnc1CNC(=O)c1cccc(c1)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 C20H23N7O2S2 MW 457.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N7O2S2/c1-3-27-15(10-21-17(29)14-6-4-5-12(2)9-14)23-26-20(27)30-11-16(28)22-19-25-24-18(31-19)13-7-8-13/h4-6,9,13H,3,7-8,10-11H2,1-2H3,(H,21,29)(H,22,25,28)
InChIKey
SDRFDFSWWWDGDX-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)NC2=NN=C(S2)C3CC3)CNC(=O)C4=CC(=CC=C4)C
InChI=1SC20H23N7O2S2c132715(102117(29)1464512(2)914)232620(27)301116(28)2219252418(3119)137813h46913H3781011H212H3(H2129)(H222528)
MFCD08683794
N((5((2((5cyclopropyl134thiadiazol2yl)amino)2oxoethyl)sulfanyl)4ethyl4H124triazol3yl)methyl)3methylbenzamide
N((5(2((5cyclopropyl134thiadiazol2yl)amino)2oxoethyl)sulfanyl4ethyl124triazol3yl)methyl)3methylbenzamide
N(5((5CYCLOPROPYL(134)THIADIAZOL2YLCARBAMOYL)METHYLSULFANYL)4ETHYL4H(124)TRIAZOL3YLMETHYL)3METHYLBENZAMIDE
ZINC000009328925
ZINC09328925
ZINC9328925

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Available files

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