Vitas-M small molecule compound
2-({3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(3-nitrophenyl)acetamide
Catalog ID
STK314266
SMILES O=C(Nc1cccc(c1)[N+](=O)[O-])CSc1nc2ccccc2c(=O)n1CCn1ncc(c1)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 C21H17ClN6O4S MW 484.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN6O4S/c22-14-11-23-26(12-14)8-9-27-20(30)17-6-1-2-7-18(17)25-21(27)33-13-19(29)24-15-4-3-5-16(10-15)28(31)32/h1-7,10-12H,8-9,13H2,(H,24,29)InChIKey
OOQSQYQENNNBRN-UHFFFAOYSA-NSynonyms
1005578-51-71005578517
2((3(2(4chloro1Hpyrazol1yl)ethyl)4oxo34dihydroquinazolin2yl)sulfanyl)N(3nitrophenyl)acetamide
2(3(2(4chloropyrazol1yl)ethyl)4oxoquinazolin2yl)sulfanylN(3nitrophenyl)acetamide
C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC(=CC=C3)(N+)(=O)(O))CCN4C=C(C=N4)Cl
InChI=1SC21H17ClN6O4Sc2214112326(1214)892720(30)17612718(17)2521(27)331319(29)241543516(1015)28(31)32h171012H8913H2(H2429)
MFCD05667601
O=C(Nc1cccc(c1)(N+)(=O)(O))CSc1nc2ccccc2c(=O)n1CCn1ncc(c1)Cl
ZINC000002733607
ZINC02733607
ZINC2733607
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