Vitas-M small molecule compound
methyl 1-[({3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)methyl]-1H-pyrazole-3-carboxylate
Catalog ID
STK314259
SMILES COC(=O)c1ccn(n1)CSc1nc2ccccc2c(=O)n1CCCn1cc(c(n1)C)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 C21H21ClN6O3S MW 472.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN6O3S/c1-14-16(22)12-26(24-14)9-5-10-28-19(29)15-6-3-4-7-17(15)23-21(28)32-13-27-11-8-18(25-27)20(30)31-2/h3-4,6-8,11-12H,5,9-10,13H2,1-2H3InChIKey
AWAMJAUIQRYLKS-UHFFFAOYSA-NSynonyms
1005588-21-51005588215
CC1=NN(C=C1Cl)CCCN2C(=O)C3=CC=CC=C3N=C2SCN4C=CC(=N4)C(=O)OC
InChI=1SC21H21ClN6O3Sc11416(22)1226(2414)95102819(29)15634717(15)2321(28)32132711818(2527)20(30)312h34681112H591013H212H3
methyl1(((3(3(4chloro3methyl1Hpyrazol1yl)propyl)4oxo34dihydroquinazolin2yl)sulfanyl)methyl)1Hpyrazole3carboxylate
methyl1((3(3(4chloro3methylpyrazol1yl)propyl)4oxoquinazolin2yl)sulfanylmethyl)pyrazole3carboxylate
MFCD05667591
ZINC000002733595
ZINC02733595
ZINC2733595
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