Vitas-M small molecule compound

N-(2-chlorophenyl)-4-(pyrimidin-2-yl)-1,4-diazepane-1-carbothioamide

Catalog ID
STK625381
SMILES S=C(N1CCCN(CC1)c1ncccn1)Nc1ccccc1Cl

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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 C16H18ClN5S MW 347.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18ClN5S/c17-13-5-1-2-6-14(13)20-16(23)22-10-4-9-21(11-12-22)15-18-7-3-8-19-15/h1-3,5-8H,4,9-12H2,(H,20,23)
InChIKey
VPYYYTROXDMEOS-UHFFFAOYSA-N
Synonyms
951963-60-3
951963603
C1CN(CCN(C1)C(=S)NC2=CC=CC=C2Cl)C3=NC=CC=N3
InChI=1SC16H18ClN5Sc1713512614(13)2016(23)22104921(111222)15187381915h1358H4912H2(H2023)
MFCD09857285
N(2chlorophenyl)4(pyrimidin2yl)14diazepane1carbothioamide
N(2chlorophenyl)4pyrimidin2yl14diazepane1carbothioamide
ZINC000013729680
ZINC13729680

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Available files

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