Vitas-M small molecule compound
N-{(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetamide
Catalog ID
STK250764
SMILES Clc1ccc2c(c1)c(CCN/C(=N\C(=O)CSc1nnnn1C)/Nc1nc(C)cc(n1)C)c[nH]2
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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 C21H23ClN10OS MW 499.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23ClN10OS/c1-12-8-13(2)26-20(25-12)28-19(27-18(33)11-34-21-29-30-31-32(21)3)23-7-6-14-10-24-17-5-4-15(22)9-16(14)17/h4-5,8-10,24H,6-7,11H2,1-3H3,(H2,23,25,26,27,28,33)InChIKey
ITTYJUPWYNUFDK-UHFFFAOYSA-NSynonyms
CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=C2C=C(C=C3)Cl)NC(=O)CSC4=NN=NN4C)C
Clc1ccc2c(c1)c(CCNC(=NC(=O)CSc1nnnn1C)Nc1nc(C)cc(n1)C)c(nH)2
InChI=1SC21H23ClN10OSc112813(2)2620(2512)2819(2718(33)11342129303132(21)3)2376141024175415(22)916(14)17h4581024H6711H213H3(H2232526272833)
MFCD07773565
N((E)((2(5chloro1Hindol3yl)ethyl)amino)((46dimethylpyrimidin2yl)amino)methylidene)2((1methyl1Htetrazol5yl)sulfanyl)acetamide
N(N(2(5chloro1Hindol3yl)ethyl)N(46dimethylpyrimidin2yl)carbamimidoyl)2(1methyltetrazol5yl)sulfanylacetamide
ZINC000018240861
ZINC18240861
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