Vitas-M small molecule compound

3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(3-phenylpropyl)propanamide

Catalog ID
STK623166
SMILES O=C(CCSc1nc(Cl)nc2c1[nH]cn2)NCCCc1ccccc1

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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 C17H18ClN5OS MW 375.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18ClN5OS/c18-17-22-15-14(20-11-21-15)16(23-17)25-10-8-13(24)19-9-4-7-12-5-2-1-3-6-12/h1-3,5-6,11H,4,7-10H2,(H,19,24)(H,20,21,22,23)
InChIKey
HCMOXIBSBSNUGC-UHFFFAOYSA-N
Synonyms
929822-67-3
3((2chloro7Hpurin6yl)sulfanyl)N(3phenylpropyl)propanamide
3((2chloro9Hpurin6yl)thio)N(3phenylpropyl)propanamide
929822673
C1=CC=C(C=C1)CCCNC(=O)CCSC2=NC(=NC3=C2NC=N3)Cl
InChI=1SC17H18ClN5OSc1817221514(20112115)16(2317)2510813(24)19947125213612h135611H4710H2(H1924)(H20212223)
MFCD09790905
O=C(CCSc1nc(Cl)nc2c1(nH)cn2)NCCCc1ccccc1
O=C(CCSc1nc(Cl)nc2c1nc(nH)2)NCCCc1ccccc1
ZINC000013552633
ZINC13552633

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Available files

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