Vitas-M small molecule compound
2-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]ethyl 3-nitrobenzoate
Catalog ID
STK105671
SMILES O=C(c1cccc(c1)[N+](=O)[O-])OCCSc1nc(C)c2c(n1)cc(c(c2)C)C
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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 C20H19N3O4S MW 397.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O4S/c1-12-9-17-14(3)21-20(22-18(17)10-13(12)2)28-8-7-27-19(24)15-5-4-6-16(11-15)23(25)26/h4-6,9-11H,7-8H2,1-3H3InChIKey
QELQZDDMYXYDPS-UHFFFAOYSA-NSynonyms
487031-44-72((467TRIMETHYLQUINAZOLIN2YL)SULFANYL)ETHYL3NITROBENZOATE
2((467trimethylquinazolin2yl)thio)ethyl3nitrobenzoate
2(467TRIMETHYLQUINAZOLIN2YL)SULFANYLETHYL3NITROBENZOATE
2(467TRIMETHYLQUINAZOLIN2YLTHIO)ETHYL3NITROBENZOATE
487031447
CC1=C(C=C2C(=C1)C(=NC(=N2)SCCOC(=O)C3=CC(=CC=C3)(N+)(=O)(O))C)C
InChI=1SC20H19N3O4Sc11291714(3)2120(2218(17)1013(12)2)28872719(24)1554616(1115)23(25)26h46911H78H213H3
MFCD03286926
O=C(c1cccc(c1)(N+)(=O)(O))OCCSc1nc(C)c2c(n1)cc(c(c2)C)C
ZINC000002321662
ZINC02321662
ZINC2321662
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