Vitas-M small molecule compound
N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-methylbenzamide
Catalog ID
STK139969
SMILES CCn1c(SCC(=O)c2ccc(cc2)Br)nnc1C(C(C)C)NC(=O)c1ccc(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 C24H27BrN4O2S MW 515.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27BrN4O2S/c1-5-29-22(21(15(2)3)26-23(31)18-8-6-16(4)7-9-18)27-28-24(29)32-14-20(30)17-10-12-19(25)13-11-17/h6-13,15,21H,5,14H2,1-4H3,(H,26,31)InChIKey
RQCAITVFVPNUAP-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)C(C(C)C)NC(=O)C3=CC=C(C=C3)C
InChI=1SC24H27BrN4O2Sc152922(21(15(2)3)2623(31)188616(4)7918)272824(29)321420(30)17101219(25)131117h6131521H514H214H3(H2631)
MFCD04213158
N(1(5((2(4BROMOPHENYL)2OXOETHYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)2METHYLPROPYL)4METHYLBENZAMIDE
N(1(5(2(4BROMOPHENYL)2OXOETHYL)SULFANYL4ETHYL124TRIAZOL3YL)2METHYLPROPYL)4METHYLBENZAMIDE
ZINC000001120728
ZINC000001120730
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