Vitas-M small molecule compound
3-{[(E)-(4-butoxyphenyl)methylidene]amino}-8-chloro-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Catalog ID
STK540246
SMILES CCCCOc1ccc(cc1)/C=N/n1c(=O)[nH]c2c(c1=O)[nH]c1c2cc(cc1)Cl
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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 C21H19ClN4O3 MW 410.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O3/c1-2-3-10-29-15-7-4-13(5-8-15)12-23-26-20(27)19-18(25-21(26)28)16-11-14(22)6-9-17(16)24-19/h4-9,11-12,24H,2-3,10H2,1H3,(H,25,28)/b23-12+InChIKey
YHZMWWYWCAHIPT-FSJBWODESA-NSynonyms
371219-69-1(E)3((4butoxybenzylidene)amino)8chloro1Hpyrimido(54b)indole24(3H5H)dione
3(((E)(4butoxyphenyl)methylidene)amino)8chloro1Hpyrimido(54b)indole24(3H5H)dione
3((E)(4BUTOXYPHENYL)METHYLIDENEAMINO)8CHLORO15DIHYDROPYRIMIDO(54B)INDOLE24DIONE
371219691
CCCCOC1=CC=C(C=C1)C=NN2C(=O)C3=C(C4=C(N3)C=CC(=C4)Cl)NC2=O
CCCCOc1ccc(cc1)C=Nn1c(=O)(nH)c2c(c1=O)(nH)c1c2cc(cc1)Cl
InChI=1SC21H19ClN4O3c1231029157413(5815)12232620(27)1918(2521(26)28)161114(22)6917(16)2419h49111224H2310H21H3(H2528)b2312+
MFCD03010237
ZINC000008768959
ZINC2315845
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