Vitas-M small molecule compound
N-{1-[4-ethyl-5-({2-[(4-iodo-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}-4-methylbenzamide
Catalog ID
STK143700
SMILES CCn1c(SCC(=O)Nc2ccc(cc2C)I)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 C25H30IN5O2S MW 591.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30IN5O2S/c1-6-31-23(22(15(2)3)28-24(33)18-9-7-16(4)8-10-18)29-30-25(31)34-14-21(32)27-20-12-11-19(26)13-17(20)5/h7-13,15,22H,6,14H2,1-5H3,(H,27,32)(H,28,33)InChIKey
HKTGMXMDQGRLQU-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)I)C)C(C(C)C)NC(=O)C3=CC=C(C=C3)C
InChI=1SC25H30IN5O2Sc163123(22(15(2)3)2824(33)189716(4)81018)293025(31)341421(32)2720121119(26)1317(20)5h7131522H614H215H3(H2732)(H2833)
MFCD04210749
N(1(4ETHYL5((2((4IODO2METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)2METHYLPROPYL)4METHYLBENZAMIDE
N(1(4ETHYL5(2(4IODO2METHYLANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)2METHYLPROPYL)4METHYLBENZAMIDE
ZINC000001148627
ZINC000001148629
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