Vitas-M small molecule compound

1-(4-iodophenyl)-3-phenyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea

Catalog ID
STK769973
SMILES Ic1ccc(cc1)N(C(=O)Nc1ccccc1)Cc1nnc2n1CCCCC2

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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 C21H22IN5O MW 487.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22IN5O/c22-16-10-12-18(13-11-16)27(21(28)23-17-7-3-1-4-8-17)15-20-25-24-19-9-5-2-6-14-26(19)20/h1,3-4,7-8,10-13H,2,5-6,9,14-15H2,(H,23,28)
InChIKey
DOCAEZFYNFYHBP-UHFFFAOYSA-N
Synonyms

1(4iodophenyl)3phenyl1(6789tetrahydro5H(124)triazolo(43a)azepin3ylmethyl)urea
C1CCC2=NN=C(N2CC1)CN(C3=CC=C(C=C3)I)C(=O)NC4=CC=CC=C4
InChI=1SC21H22IN5Oc2216101218(131116)27(21(28)23177314817)152025241995261426(19)20h134781013H25691415H2(H2328)
MFCD03459819
ZINC000008868338
ZINC08868338
ZINC8868338

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Available files

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