Vitas-M small molecule compound
1-{(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-3-(2-methoxyphenyl)urea
Catalog ID
STL448017
SMILES COc1ccccc1NC(=O)/N=C(/Nc1nc(C)cc(n1)C)\NCCc1c[nH]c2c1cc(Cl)cc2
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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 C25H26ClN7O2 MW 491.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26ClN7O2/c1-15-12-16(2)30-24(29-15)32-23(33-25(34)31-21-6-4-5-7-22(21)35-3)27-11-10-17-14-28-20-9-8-18(26)13-19(17)20/h4-9,12-14,28H,10-11H2,1-3H3,(H3,27,29,30,31,32,33,34)InChIKey
JGANLUXOQJKJBV-UHFFFAOYSA-NSynonyms
1((E)((2(5chloro1Hindol3yl)ethyl)amino)((46dimethylpyrimidin2yl)amino)methylidene)3(2methoxyphenyl)urea
1(N(2(5chloro1Hindol3yl)ethyl)N(46dimethylpyrimidin2yl)carbamimidoyl)3(2methoxyphenyl)urea
CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=C2C=C(C=C3)Cl)NC(=O)NC4=CC=CC=C4OC)C
COc1ccccc1NC(=O)N=C(Nc1nc(C)cc(n1)C)NCCc1c(nH)c2c1cc(Cl)cc2
InChI=1SC25H26ClN7O2c1151216(2)3024(2915)3223(3325(34)3121645722(21)353)271110171428209818(26)1319(17)20h49121428H1011H213H3(H327293031323334)
MFCD07773562
N((E)((2(5CHLORO1HINDOL3YL)ETHYL)AMINO)((46DIMETHYL2PYRIMIDINYL)AMINO)METHYLIDENE)N(2METHOXYPHENYL)UREA
ZINC000008758797
ZINC8758797
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