Vitas-M small molecule compound
[(4-hydroxy-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl](phenyl)acetic acid
Catalog ID
STK922166
SMILES OC(=O)C(c1ccccc1)Sc1nc(O)c2c(n1)CCCC2
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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 C16H16N2O3S MW 316.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O3S/c19-14-11-8-4-5-9-12(11)17-16(18-14)22-13(15(20)21)10-6-2-1-3-7-10/h1-3,6-7,13H,4-5,8-9H2,(H,20,21)(H,17,18,19)InChIKey
CKWHPTRABNAVAE-UHFFFAOYSA-NSynonyms
((4hydroxy5678tetrahydroquinazolin2yl)sulfanyl)(phenyl)aceticacid
2((4oxo5678tetrahydro1Hquinazolin2yl)sulfanyl)2phenylaceticacid
C1CCC2=C(C1)C(=O)N=C(N2)SC(C3=CC=CC=C3)C(=O)O
InChI=1SC16H16N2O3Sc191411845912(11)1716(1814)2213(15(20)21)106213710h136713H4589H2(H2021)(H171819)
MFCD06251627
ZINC000012176682
ZINC000012176684
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